2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

C15H10ClF2N3O2 — CID 139385412

IUPAC2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)nc3cn2)c1F
InChIInChI=1S/C15H10ClF2N3O2/c1-22-10-4-11(23-2)14(18)12(13(10)17)8-3-7-5-20-15(16)21-9(7)6-19-8/h3-6H,1-2H3
InChIKeyROPHXKIGKBFJPY-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine

2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (PubChem CID 139385412) has the molecular formula C15H10ClF2N3O2 and a molecular weight of 337.71 g/mol. Its IUPAC name is 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
PubChem CID139385412
Molecular FormulaC15H10ClF2N3O2
Molecular Weight337.71 g/mol
Exact Mass337.04
IUPAC Name2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)nc3cn2)c1F
InChIInChI=1S/C15H10ClF2N3O2/c1-22-10-4-11(23-2)14(18)12(13(10)17)8-3-7-5-20-15(16)21-9(7)6-19-8/h3-6H,1-2H3
InChIKeyROPHXKIGKBFJPY-UHFFFAOYSA-N
XLogP3.64
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine
CID 135181115
6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine
CID 135181116
8-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine;ethane
CID 142381459
2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-5-fluoroquinazoline
CID 118036511
7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine
CID 155259775
2-chloro-6-ethoxy-7-methoxyquinazoline
CID 141299474
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923
3-chloro-7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 135181041
6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 142381138
8-N-cyclopropyl-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139396194
(3S,4S)-4-azidooxan-3-amine;N-[(3S,4S)-4-azidooxan-3-yl]-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-amine;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine;hydrochloride
CID 157412520
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 146283443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine (CID 139385412) is 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is COc1cc(OC)c(F)c(-c2cc3cnc(Cl)nc3cn2)c1F.
What is the InChIKey of 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
The InChIKey is ROPHXKIGKBFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2/c1-22-10-4-11(23-2)14(18)12(13(10)17)8-3-7-5-20-15(16)21-9(7)6-19-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine?
2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine has a molecular weight of 337.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 139385412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).