N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine

C13H20ClN3O — CID 66324741

IUPACN-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC2CCCCC2Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-3-18-13-9(2)12(15-8-16-13)17-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCZQOZAGXIMXXKS-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.15
Rot. Bonds4

About N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine

N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 66324741) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID66324741
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC2CCCCC2Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-3-18-13-9(2)12(15-8-16-13)17-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyCZQOZAGXIMXXKS-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-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 N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine (CID 66324741) is N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NC2CCCCC2Cl)c1C.
What is the InChIKey of N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is CZQOZAGXIMXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-18-13-9(2)12(15-8-16-13)17-11-7-5-4-6-10(11)14/h8,10-11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine?
N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66324741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).