Basic information
- CAS
65996-50-1- Standard SMILES
O=c1[nH]c(=O)c2[nH]ccc2[nH]1- InChIKey
BSRITDQWGPSXPQ-UHFFFAOYSA-N- Molecular formula
- C6H5N3O2
- Average molar mass
- 151.12 g/mol
- Monoisotopic mass
- 151.0381764
Names & identifiers
- Preferred name
- 1,5-Dihydro-Pyrrolo(3,2-D)Pyrimidine-2,4-Dione
- IUPAC
- 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
- English name
- 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion
- Molecular formula
- C6H5N3O2
- Molecular weight
- 151.12
Names & synonyms
1,5-Dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione1,5-Dihydro-Pyrrolo(3,2-D)Pyrimidine-2,4-DioneRefChem:417230108-399-465996-50-11H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dioneMFCD080592751,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dione113544-53-91,5-dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show more names
1,5-dihydro-pyrrolo[3,2-a]pyri5H-Pyrrolo[3,2-d]pyriMidine-2,4-diol1-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione1,5-DIHYDROPYRROLO[3,2-A]PYRIMIDINE-2,4-DION1,5-DIHYDRO-PYRROLO[3,2-A]PYRIMIDINE-2,4-DIONE1H-pyridinebenzo[2,3-d]pyrimidine-2,4(3H,7H)-dione1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione (7CI, 9CI, ACI)
SCHEMBL1460186SCHEMBL3259988AKOS015854489CS-W003447DS-1459EN300-974961H-Pyrrolo[32-d]pyrimidine-24(3H5H)-dione2-Hydroxy-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 360 °C · >360 °C(Solv: water (7732-18-5))
- Density
- 1.516 · 1.516±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 11.32 · 11.32±0.20(Predicted)
- color
- White to Light yellow to Light orange
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933.59 · 2933.59.8000
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933.59.8000
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Applications
Uses1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion is used for the preparation of pyrazolopyrimidine derivatives or analogs thereof as CCR4 function modulators.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
南京道格生物医药科技有限公司025-58227606 18021503536 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
2 records
Compound notes
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