2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine

C17H16ClN3O — CID 171085788

IUPAC2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(C)nc(Cl)nc2n1
InChIInChI=1S/C17H16ClN3O/c1-9-7-10(2)15(14(8-9)22-4)13-6-5-12-11(3)19-17(18)21-16(12)20-13/h5-8H,1-4H3
InChIKeyIGAZATVJQKGFMK-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.28
Rot. Bonds2

About 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine

2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine (PubChem CID 171085788) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
PubChem CID171085788
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(C)nc(Cl)nc2n1
InChIInChI=1S/C17H16ClN3O/c1-9-7-10(2)15(14(8-9)22-4)13-6-5-12-11(3)19-17(18)21-16(12)20-13/h5-8H,1-4H3
InChIKeyIGAZATVJQKGFMK-UHFFFAOYSA-N
XLogP4.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)-6-(trifluoromethyl)pyrimidine
CID 106681427
2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
CID 171085869
tert-butyl 5-[7-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,8-naphthyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085808
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine (CID 171085788) is 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine is COc1cc(C)cc(C)c1-c1ccc2c(C)nc(Cl)nc2n1.
What is the InChIKey of 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine?
The InChIKey is IGAZATVJQKGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-9-7-10(2)15(14(8-9)22-4)13-6-5-12-11(3)19-17(18)21-16(12)20-13/h5-8H,1-4H3.
What are the key properties of 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine?
2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine has a molecular weight of 313.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 171085788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).