2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one

C17H15N3O — CID 131860822

IUPAC2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2cnc(Nc3ccccc3)[nH]c2=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-5-7-13(10-12)15-11-18-17(20-16(15)21)19-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,19,20,21)
InChIKeySIFCLVZLDWQGDK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.49
Rot. Bonds3

About 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 131860822) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID131860822
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2cnc(Nc3ccccc3)[nH]c2=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-5-7-13(10-12)15-11-18-17(20-16(15)21)19-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,19,20,21)
InChIKeySIFCLVZLDWQGDK-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174768058
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CID 19838437
5-(3-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260709
3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine
CID 141084699
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
4-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
CID 59762633
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
CID 19082365
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 131860822) is 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2cnc(Nc3ccccc3)[nH]c2=O)c1.
What is the InChIKey of 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is SIFCLVZLDWQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-5-7-13(10-12)15-11-18-17(20-16(15)21)19-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 131860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).