Basic information
- Standard SMILES
NCc1cc(=O)[nH]c(=O)[nH]1- InChIKey
UMEHPGXESZPRFZ-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382646
Names & identifiers
- Preferred name
- 6-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-(aminomethyl)-1H-pyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, 6-(aminomethyl)- (9CI)
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
20989-02-06-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione6-(aminomethyl)-1H-pyrimidine-2,4-dione6-(Aminomethyl)uracil6-(aminomethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneMFCD034532856-Aminomethyl-1H-pyrimidine-2,4-dione6-aminomethylpyrimidine-2,4-dioneNSC225341Uracil, 6-(aminomethyl)-SCHEMBL2959182DTXSID60310334
Show more names
6-(aminomethyl)pyrimidine-2,4-diol6-(AMINOMETHYL)-2,4(1H,3H)-PYRIMIDINEDIONE2,4(1H,3H)-Pyrimidinedione, 6-(aminomethyl)-2,4(1H,3H)-Pyrimidinedione, 6-(aminomethyl)- (9CI)
UMEHPGXESZPRFZ-UHFFFAOYSA-NAKOS006242077AKOS008945588NSC-225341SB55879DA-18372CS-0007561EN300-181551
Database identifiers
- CAS
20989-02-0- PubChem CID
- 312953
- DTXSID
DTXSID60310334
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 312 · 312-315 °C (decomp)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海雷鸣医药科技有限公司13761371720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
4 records
Linked notes
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