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

C17H15N3O2 — CID 135494244

IUPAC2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-3-2-4-13(15)10-16-19-14(11-17(21)20-16)12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyJVTJUFQSYWREDT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds4

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

2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135494244) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135494244
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-3-2-4-13(15)10-16-19-14(11-17(21)20-16)12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyJVTJUFQSYWREDT-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 135546497
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
2-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850480
2-pentyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753960
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135484550
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136964506
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135494244) is 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one is COc1ccccc1Cc1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is JVTJUFQSYWREDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-5-3-2-4-13(15)10-16-19-14(11-17(21)20-16)12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135494244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).