2-amino-4-benzyl-1H-pyrimidin-6-one

C11H11N3O — CID 135454004

IUPAC2-amino-4-benzyl-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c12-11-13-9(7-10(15)14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)
InChIKeyICVOELCHCKJETJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-4-benzyl-1H-pyrimidin-6-one

2-amino-4-benzyl-1H-pyrimidin-6-one (PubChem CID 135454004) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-4-benzyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-benzyl-1H-pyrimidin-6-one
PubChem CID135454004
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-amino-4-benzyl-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c12-11-13-9(7-10(15)14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)
InChIKeyICVOELCHCKJETJ-UHFFFAOYSA-N
XLogP0.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bropirimine
CID 135413497
Benzylthiouracil
CID 685814
2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
6-Phenylpyrimidin-4-ol
CID 135418832
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135846115

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-benzyl-1H-pyrimidin-6-one (CID 135454004) is 2-amino-4-benzyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-benzyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-benzyl-1H-pyrimidin-6-one is Nc1nc(Cc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-benzyl-1H-pyrimidin-6-one?
The InChIKey is ICVOELCHCKJETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11-13-9(7-10(15)14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15).
What are the key properties of 2-amino-4-benzyl-1H-pyrimidin-6-one?
2-amino-4-benzyl-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).