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

C17H27N3 — CID 24930526

IUPAC2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)CN1CCc2cnc(C3CCCCC3)nc2C1
InChIInChI=1S/C17H27N3/c1-13(2)11-20-9-8-15-10-18-17(19-16(15)12-20)14-6-4-3-5-7-14/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyIKGXHENCCOWJCH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.54
Rot. Bonds3

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

2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930526) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930526
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)CN1CCc2cnc(C3CCCCC3)nc2C1
InChIInChI=1S/C17H27N3/c1-13(2)11-20-9-8-15-10-18-17(19-16(15)12-20)14-6-4-3-5-7-14/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyIKGXHENCCOWJCH-UHFFFAOYSA-N
XLogP3.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930610
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
methyl 3-[(2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930232
2-cyclopropyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931636
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241435
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
1-[4-[6-(2-phenylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110241796
1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92581997

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930526) is 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)CN1CCc2cnc(C3CCCCC3)nc2C1.
What is the InChIKey of 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is IKGXHENCCOWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)11-20-9-8-15-10-18-17(19-16(15)12-20)14-6-4-3-5-7-14/h10,13-14H,3-9,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 273.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).