4-Amino-1-benzylpyrimidin-2(1H)-one
Basic information
- CAS
60722-54-5- Standard SMILES
Nc1ccn(Cc2ccccc2)c(=O)n1- InChIKey
WHSOKGZCVSCOJM-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021197
Names & identifiers
- Preferred name
- 4-Amino-1-benzylpyrimidin-2(1H)-one
- IUPAC
- 4-amino-1-benzylpyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone,4-amino-1-(phenylmethyl)-
- Molecular formula
- C11H11N3O
- Molecular weight
- 201.22454
Names & synonyms
60722-54-54-Amino-1-benzylpyrimidin-2(1H)-oneDTXSID50308927RefChem:289727DTXCID702600532(1H)-PYRIMIDINONE,4-AMINO-1-(PHENYLMETHYL)-benzylcytosine4-amino-1-benzylpyrimidin-2-oneNSC210404SCHEMBL248682CHEMBL3273642WHSOKGZCVSCOJM-UHFFFAOYSA-N
Show more names
4-amino-1-benzyl-1H-pyrimidin-2-one4-amino-1-benzyl-2(1H)-pyrimidinoneNSC-210404DB-295098AC-907/34108060
Database identifiers
- CAS
60722-54-5- PubChem CID
- 308581
- DTXSID
DTXSID50308927- ChEMBL
CHEMBL3273642
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H11N3O/c12-10-6-7-14(11(15)13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,15)
- InChIKey
- WHSOKGZCVSCOJM-UHFFFAOYSA-N
- UNSPSC Code
- 12352005 · 12352005
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Suppliers
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Related reactions
4 records
Compound notes
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