4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one

C16H14N4O — CID 58560826

IUPAC4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(Nc2cc(-c3cc[nH]c(=O)c3)ncn2)cc1
InChIInChI=1S/C16H14N4O/c1-11-2-4-13(5-3-11)20-15-9-14(18-10-19-15)12-6-7-17-16(21)8-12/h2-10H,1H3,(H,17,21)(H,18,19,20)
InChIKeyVHKWQKWAEBXFAP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.88
Rot. Bonds3

About 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one

4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 58560826) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID58560826
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(Nc2cc(-c3cc[nH]c(=O)c3)ncn2)cc1
InChIInChI=1S/C16H14N4O/c1-11-2-4-13(5-3-11)20-15-9-14(18-10-19-15)12-6-7-17-16(21)8-12/h2-10H,1H3,(H,17,21)(H,18,19,20)
InChIKeyVHKWQKWAEBXFAP-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

6-[3-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 58119058
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
CID 11209329
N-[4-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]phenyl]-4-methylbenzenesulfonamide
CID 11407795
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327362
4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
2,6-difluoro-N-[4-[[6-(1H-indol-5-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69136465
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one (CID 58560826) is 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one is Cc1ccc(Nc2cc(-c3cc[nH]c(=O)c3)ncn2)cc1.
What is the InChIKey of 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is VHKWQKWAEBXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-2-4-13(5-3-11)20-15-9-14(18-10-19-15)12-6-7-17-16(21)8-12/h2-10H,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one?
4-[6-(4-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-[6-(4-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58560826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).