2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H26N4OS — CID 135866280

IUPAC2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc(C)c(CN2CCc3c(nc(C4CCCCC4)[nH]c3=O)C2)s1
InChIInChI=1S/C19H26N4OS/c1-12-17(25-13(2)20-12)11-23-9-8-15-16(10-23)21-18(22-19(15)24)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,21,22,24)
InChIKeyWFOKTOXROODGNN-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.45
Rot. Bonds3

About 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866280) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866280
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc(C)c(CN2CCc3c(nc(C4CCCCC4)[nH]c3=O)C2)s1
InChIInChI=1S/C19H26N4OS/c1-12-17(25-13(2)20-12)11-23-9-8-15-16(10-23)21-18(22-19(15)24)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,21,22,24)
InChIKeyWFOKTOXROODGNN-UHFFFAOYSA-N
XLogP3.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866280) is 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc(C)c(CN2CCc3c(nc(C4CCCCC4)[nH]c3=O)C2)s1.
What is the InChIKey of 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WFOKTOXROODGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-12-17(25-13(2)20-12)11-23-9-8-15-16(10-23)21-18(22-19(15)24)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 358.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).