6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one

C22H18N4O — CID 139798980

IUPAC6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Nc2ccccc2)nc(-c2ccccc2)n1Cc1cccnc1
InChIInChI=1S/C22H18N4O/c27-21-14-20(24-19-11-5-2-6-12-19)25-22(18-9-3-1-4-10-18)26(21)16-17-8-7-13-23-15-17/h1-15,24H,16H2
InChIKeyMMOIGPZWKPHXHQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.10
Rot. Bonds5

About 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one

6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one (PubChem CID 139798980) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
PubChem CID139798980
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Nc2ccccc2)nc(-c2ccccc2)n1Cc1cccnc1
InChIInChI=1S/C22H18N4O/c27-21-14-20(24-19-11-5-2-6-12-19)25-22(18-9-3-1-4-10-18)26(21)16-17-8-7-13-23-15-17/h1-15,24H,16H2
InChIKeyMMOIGPZWKPHXHQ-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-2-methyl-6-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 91310443
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
3-benzyl-2-phenylpyrido[4,3-d]pyrimidin-4-one
CID 134850585
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 108797154
7-(4-fluoroanilino)-5-methyl-2-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 53201586
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-ethyl-6-methyl-4-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040065
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 18585029
3-phenyl-1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110594411
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917

Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one (CID 139798980) is 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one is O=c1cc(Nc2ccccc2)nc(-c2ccccc2)n1Cc1cccnc1.
What is the InChIKey of 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one?
The InChIKey is MMOIGPZWKPHXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-21-14-20(24-19-11-5-2-6-12-19)25-22(18-9-3-1-4-10-18)26(21)16-17-8-7-13-23-15-17/h1-15,24H,16H2.
What are the key properties of 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one?
6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one has a molecular weight of 354.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 139798980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).