6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine

C16H26ClN3 — CID 80972193

IUPAC6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(CC)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-4-6-14-19-15(17)11(3)16(20-14)18-13-9-7-12(5-2)8-10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeySGIOXQLFDBFEMO-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.77
Rot. Bonds5

About 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80972193) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80972193
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(CC)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-4-6-14-19-15(17)11(3)16(20-14)18-13-9-7-12(5-2)8-10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeySGIOXQLFDBFEMO-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine 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 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80972193) is 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC2CCC(CC)CC2)n1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is SGIOXQLFDBFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-6-14-19-15(17)11(3)16(20-14)18-13-9-7-12(5-2)8-10-13/h12-13H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80972193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).