2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one

C11H10FN3O — CID 83888554

IUPAC2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cnc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-2-4-8(12)5-3-7/h2-6,13H,1H3,(H,14,15,16)
InChIKeyHGCVXOMOBXLEKO-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one

2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one (PubChem CID 83888554) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
PubChem CID83888554
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cnc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-2-4-8(12)5-3-7/h2-6,13H,1H3,(H,14,15,16)
InChIKeyHGCVXOMOBXLEKO-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888556
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
CID 83895493
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 136740674
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-4-phenylpiperidine
CID 163310658
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141897
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one (CID 83888554) is 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one is CNc1cnc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is HGCVXOMOBXLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-2-4-8(12)5-3-7/h2-6,13H,1H3,(H,14,15,16).
What are the key properties of 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 83888554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).