2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine

C16H13Cl2N3O — CID 171085729

IUPAC2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(Cl)nc(Cl)nc2n1
InChIInChI=1S/C16H13Cl2N3O/c1-8-6-9(2)13(12(7-8)22-3)11-5-4-10-14(17)20-16(18)21-15(10)19-11/h4-7H,1-3H3
InChIKeyBZGOSSHHWRVKBC-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.62
Rot. Bonds2

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

2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine (PubChem CID 171085729) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
PubChem CID171085729
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(Cl)nc(Cl)nc2n1
InChIInChI=1S/C16H13Cl2N3O/c1-8-6-9(2)13(12(7-8)22-3)11-5-4-10-14(17)20-16(18)21-15(10)19-11/h4-7H,1-3H3
InChIKeyBZGOSSHHWRVKBC-UHFFFAOYSA-N
XLogP4.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
CID 171085788
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
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
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-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
6-(2-methoxy-4,6-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854288
2,4,8-trichloro-7-methoxyquinazoline
CID 170552146
methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine (CID 171085729) is 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine is COc1cc(C)cc(C)c1-c1ccc2c(Cl)nc(Cl)nc2n1.
What is the InChIKey of 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine?
The InChIKey is BZGOSSHHWRVKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-8-6-9(2)13(12(7-8)22-3)11-5-4-10-14(17)20-16(18)21-15(10)19-11/h4-7H,1-3H3.
What are the key properties of 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine?
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine has a molecular weight of 334.21 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 171085729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).