2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C18H15FN4O2 — CID 10131935

IUPAC2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccc(F)cc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHISQZUJBDIFUKI-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 10131935) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID10131935
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccc(F)cc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHISQZUJBDIFUKI-UHFFFAOYSA-N
XLogP2.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11582999
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[2-(pyridin-2-ylformamido)propan-2-yl]-1,6-dihydropyrimidine-4-carboxamide
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1,2-Diphenyl-2-(pyridin-2-ylamino)ethanone
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Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)benzamide
CID 11623444
3-(2-Methyl-1-oxo-1,2-dihydroisoquinolin-4-YL)-1-[(pyridin-2-YL)methyl]urea
CID 20910140
2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
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4-benzoyl-N-(3-methylpyridin-2-yl)benzamide
CID 9119219
4-fluoro-N-[3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 16278323
4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
CID 24980950
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 10131935) is 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(=O)c2ccc(F)cc2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is HISQZUJBDIFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 338.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 10131935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).