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

C27H32N4S — CID 24914300

IUPAC2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCSc1ccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)cc1
InChIInChI=1S/C27H32N4S/c1-2-32-24-11-9-21(10-12-24)25-13-8-20(16-28-25)18-31-15-14-26-23(19-31)17-29-27(30-26)22-6-4-3-5-7-22/h8-13,16-17,22H,2-7,14-15,18-19H2,1H3
InChIKeyILWDHXOCHFWBRX-UHFFFAOYSA-N
MW444.65 g/mol
LogP6.26
Rot. Bonds6

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

2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914300) has the molecular formula C27H32N4S and a molecular weight of 444.65 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914300
Molecular FormulaC27H32N4S
Molecular Weight444.65 g/mol
Exact Mass444.23
IUPAC Name2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCSc1ccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)cc1
InChIInChI=1S/C27H32N4S/c1-2-32-24-11-9-21(10-12-24)25-13-8-20(16-28-25)18-31-15-14-26-23(19-31)17-29-27(30-26)22-6-4-3-5-7-22/h8-13,16-17,22H,2-7,14-15,18-19H2,1H3
InChIKeyILWDHXOCHFWBRX-UHFFFAOYSA-N
XLogP6.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.65
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945715
2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914573
6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945708
6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914360
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914549
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 24912473
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 24912494
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914300) is 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCSc1ccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)cc1.
What is the InChIKey of 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ILWDHXOCHFWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4S/c1-2-32-24-11-9-21(10-12-24)25-13-8-20(16-28-25)18-31-15-14-26-23(19-31)17-29-27(30-26)22-6-4-3-5-7-22/h8-13,16-17,22H,2-7,14-15,18-19H2,1H3.
What are the key properties of 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 444.65 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).