4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one

C12H12ClN3O — CID 135978286

IUPAC4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)5-11-15-10(7-14)6-12(17)16-11/h1-4,6H,5,7,14H2,(H,15,16,17)
InChIKeyZNFOFKCIHAWIRK-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.47
Rot. Bonds3

About 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one

4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135978286) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135978286
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)5-11-15-10(7-14)6-12(17)16-11/h1-4,6H,5,7,14H2,(H,15,16,17)
InChIKeyZNFOFKCIHAWIRK-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
4-(chloromethyl)-2-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135978457
4-(2-aminoethyl)-2-[(3,5-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135860490
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
2-[(2,4-dichlorophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 135978205
2-amino-5-[(4-chlorophenyl)methyl]-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
CID 136824658
2-[(4-chlorophenyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890246
2-(chloromethyl)-4-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 137119595
N-(3-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834395
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one (CID 135978286) is 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is ZNFOFKCIHAWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)5-11-15-10(7-14)6-12(17)16-11/h1-4,6H,5,7,14H2,(H,15,16,17).
What are the key properties of 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one?
4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 249.70 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135978286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).