6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H22N4O3 — CID 135917335

IUPAC6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(OC)c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H22N4O3/c1-27-18-6-3-7-19(28-2)16(18)13-25-10-8-17-15(12-25)21(26)24-20(23-17)14-5-4-9-22-11-14/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,23,24,26)
InChIKeyFATXOJTXAZZJPM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds5

About 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917335) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135917335
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(OC)c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H22N4O3/c1-27-18-6-3-7-19(28-2)16(18)13-25-10-8-17-15(12-25)21(26)24-20(23-17)14-5-4-9-22-11-14/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,23,24,26)
InChIKeyFATXOJTXAZZJPM-UHFFFAOYSA-N
XLogP2.41
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,6-dimethoxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917331
6-[(3-methoxy-2-nitrophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919132
6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917275
2-(4-aminophenyl)-6-[(2,6-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917341
6-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918732
2-pyridin-3-yl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916575
6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947067
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917815
6-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917975
6-[(3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919112

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917335) is 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(OC)c1CN1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FATXOJTXAZZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-6-3-7-19(28-2)16(18)13-25-10-8-17-15(12-25)21(26)24-20(23-17)14-5-4-9-22-11-14/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,23,24,26).
What are the key properties of 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 378.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).