4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H16ClN3 — CID 145499127

IUPAC4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(N2CCc3ncnc(Cl)c3C2)c(C)c1
InChIInChI=1S/C15H16ClN3/c1-10-3-4-14(11(2)7-10)19-6-5-13-12(8-19)15(16)18-9-17-13/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyPBHDLUZDFCBOET-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.31
Rot. Bonds1

About 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 145499127) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID145499127
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(N2CCc3ncnc(Cl)c3C2)c(C)c1
InChIInChI=1S/C15H16ClN3/c1-10-3-4-14(11(2)7-10)19-6-5-13-12(8-19)15(16)18-9-17-13/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyPBHDLUZDFCBOET-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)pyrrolidin-3-one
CID 23052705
4-chloro-6-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 86609051
2-[1-(2,4-dimethylphenyl)pyrrolidin-3-ylidene]propanedinitrile
CID 23052853
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
(2S)-2-[[6-(2-amino-4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(2-methylpyrimidin-5-yl)ethanol
CID 70274336
3-chloro-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66022207
6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 70275151
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003167
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 145499127) is 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(N2CCc3ncnc(Cl)c3C2)c(C)c1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PBHDLUZDFCBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-3-4-14(11(2)7-10)19-6-5-13-12(8-19)15(16)18-9-17-13/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 273.77 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 145499127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).