6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H30N4 — CID 92558683

IUPAC6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C
InChIInChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-11-9-20-19(15-26)13-23-22(24-20)21-6-4-5-10-25(21)3/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m0/s1
InChIKeyQPNNPQDJJLPFTO-NRFANRHFSA-N
MW350.51 g/mol
LogP3.81
Rot. Bonds3

About 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92558683) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92558683
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C
InChIInChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-11-9-20-19(15-26)13-23-22(24-20)21-6-4-5-10-25(21)3/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m0/s1
InChIKeyQPNNPQDJJLPFTO-NRFANRHFSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92558677
2-(1-methylpiperidin-2-yl)-6-[(3-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110240628
6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110240636
1-[(3S)-3-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95850664
1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549252
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
1-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92558665
2-(4-methylphenyl)-1-[2-(1-methylpyrrolidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241073
2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92557773
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92558683) is 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(CN2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QPNNPQDJJLPFTO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-11-9-20-19(15-26)13-23-22(24-20)21-6-4-5-10-25(21)3/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m0/s1.
What are the key properties of 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 350.51 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92558683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).