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

C22H30N4 — CID 92558677

IUPAC2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1C
InChIInChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-10-5-4-6-21(26)22-23-13-19-15-25(3)11-9-20(19)24-22/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m1/s1
InChIKeyXSSUOCDDCMSFKV-OAQYLSRUSA-N
MW350.51 g/mol
LogP3.81
Rot. Bonds3

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

2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92558677) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92558677
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1C
InChIInChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-10-5-4-6-21(26)22-23-13-19-15-25(3)11-9-20(19)24-22/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m1/s1
InChIKeyXSSUOCDDCMSFKV-OAQYLSRUSA-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

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Related Compounds

6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92558683
6-methyl-2-[(2S)-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92580413
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
6-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92548043
1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593815
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-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110240399
1-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92558665
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
1-[(2R)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596442
(2-ethoxyphenyl)-[(2S)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92587564
1-[2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110240811

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92558677) is 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1C.
What is the InChIKey of 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XSSUOCDDCMSFKV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4/c1-16-7-8-18(12-17(16)2)14-26-10-5-4-6-21(26)22-23-13-19-15-25(3)11-9-20(19)24-22/h7-8,12-13,21H,4-6,9-11,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-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 2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92558677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).