2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

C12H12FN3O — CID 135690961

IUPAC2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-11(17)16-12(15-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyCCBBKGCEMPLFAB-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.83
Rot. Bonds3

About 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one

2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135690961) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135690961
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O/c1-8-6-11(17)16-12(15-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyCCBBKGCEMPLFAB-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
6-Phenylpyrimidin-4-ol
CID 135418832
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-[isopropyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135846095

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one (CID 135690961) is 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CCBBKGCEMPLFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-11(17)16-12(15-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one?
2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 233.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135690961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).