3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

C16H15N3O3 — CID 39754045

IUPAC3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(OC)c1Cn1cnc2ncccc2c1=O
InChIInChI=1S/C16H15N3O3/c1-21-13-6-3-7-14(22-2)12(13)9-19-10-18-15-11(16(19)20)5-4-8-17-15/h3-8,10H,9H2,1-2H3
InChIKeyMUESGIZRHWDOEO-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.86
Rot. Bonds4

About 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 39754045) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID39754045
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(OC)c1Cn1cnc2ncccc2c1=O
InChIInChI=1S/C16H15N3O3/c1-21-13-6-3-7-14(22-2)12(13)9-19-10-18-15-11(16(19)20)5-4-8-17-15/h3-8,10H,9H2,1-2H3
InChIKeyMUESGIZRHWDOEO-UHFFFAOYSA-N
XLogP1.86
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275669
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275764
3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
3-(2-fluoropropyl)-8-methoxyquinazolin-4-one
CID 166295179
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 72735142
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
CID 31076436
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338
2-ethyl-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 101460145

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (CID 39754045) is 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is COc1cccc(OC)c1Cn1cnc2ncccc2c1=O.
What is the InChIKey of 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MUESGIZRHWDOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-13-6-3-7-14(22-2)12(13)9-19-10-18-15-11(16(19)20)5-4-8-17-15/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39754045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).