4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one

C20H15N5O — CID 142533764

IUPAC4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25)
InChIKeyXPYHHTPXESGWCC-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.64
Rot. Bonds4

About 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one

4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 142533764) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
PubChem CID142533764
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25)
InChIKeyXPYHHTPXESGWCC-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970500
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one (CID 142533764) is 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one is O=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is XPYHHTPXESGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25).
What are the key properties of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 341.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 142533764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).