4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one

C16H14N4O — CID 170970812

IUPAC4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(Nc2nccc(-c3cc[nH]c(=O)c3)n2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)19-16-18-8-6-14(20-16)12-5-7-17-15(21)10-12/h2-10H,1H3,(H,17,21)(H,18,19,20)
InChIKeyOPIDFDKWGORRRG-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.88
Rot. Bonds3

About 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one

4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 170970812) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID170970812
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(Nc2nccc(-c3cc[nH]c(=O)c3)n2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)19-16-18-8-6-14(20-16)12-5-7-17-15(21)10-12/h2-10H,1H3,(H,17,21)(H,18,19,20)
InChIKeyOPIDFDKWGORRRG-UHFFFAOYSA-N
XLogP2.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970500
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
CID 174198941
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
CID 155412429
4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
CID 118447094
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one (CID 170970812) is 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one is Cc1cccc(Nc2nccc(-c3cc[nH]c(=O)c3)n2)c1.
What is the InChIKey of 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is OPIDFDKWGORRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)19-16-18-8-6-14(20-16)12-5-7-17-15(21)10-12/h2-10H,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 170970812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).