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

C20H32N4 — CID 110241435

IUPAC6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCC(c2ncc3c(n2)CCN(CC2CCCCC2)C3)C1
InChIInChI=1S/C20H32N4/c1-23-10-5-8-17(14-23)20-21-12-18-15-24(11-9-19(18)22-20)13-16-6-3-2-4-7-16/h12,16-17H,2-11,13-15H2,1H3
InChIKeyZSHSPVLIZXLEBA-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.22
Rot. Bonds3

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

6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110241435) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110241435
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCC(c2ncc3c(n2)CCN(CC2CCCCC2)C3)C1
InChIInChI=1S/C20H32N4/c1-23-10-5-8-17(14-23)20-21-12-18-15-24(11-9-19(18)22-20)13-16-6-3-2-4-7-16/h12,16-17H,2-11,13-15H2,1H3
InChIKeyZSHSPVLIZXLEBA-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241424
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 95850669
1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
CID 110241432
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241198
tert-butyl 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidine-1-carboxylate
CID 24928079
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 124915408
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
(2S)-2-methyl-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 92562477
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608092

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110241435) is 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCCC(c2ncc3c(n2)CCN(CC2CCCCC2)C3)C1.
What is the InChIKey of 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZSHSPVLIZXLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-23-10-5-8-17(14-23)20-21-12-18-15-24(11-9-19(18)22-20)13-16-6-3-2-4-7-16/h12,16-17H,2-11,13-15H2,1H3.
What are the key properties of 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 328.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110241435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).