6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine

C15H13N3O2 — CID 68916896

IUPAC6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ccc3ncncc3n2)cc1OC
InChIInChI=1S/C15H13N3O2/c1-19-14-6-3-10(7-15(14)20-2)11-4-5-12-13(18-11)8-16-9-17-12/h3-9H,1-2H3
InChIKeyOAPJBOCHXPTRKG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine

6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine (PubChem CID 68916896) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
PubChem CID68916896
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
SMILESCOc1ccc(-c2ccc3ncncc3n2)cc1OC
InChIInChI=1S/C15H13N3O2/c1-19-14-6-3-10(7-15(14)20-2)11-4-5-12-13(18-11)8-16-9-17-12/h3-9H,1-2H3
InChIKeyOAPJBOCHXPTRKG-UHFFFAOYSA-N
XLogP2.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 110171978
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688331
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
N'-[6-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-3-yl]-2,2-dimethylpropanimidamide
CID 67989819
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 110172114
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
3-cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634
2-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]ethanol
CID 117001680

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine (CID 68916896) is 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine is COc1ccc(-c2ccc3ncncc3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is OAPJBOCHXPTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-14-6-3-10(7-15(14)20-2)11-4-5-12-13(18-11)8-16-9-17-12/h3-9H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine?
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 267.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 68916896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).