N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine

C13H20ClN3O — CID 66331387

IUPACN-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCC(Cl)CC2)ncn1
InChIInChI=1S/C13H20ClN3O/c1-2-7-18-13-8-12(15-9-16-13)17-11-5-3-10(14)4-6-11/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyOGMKYQUGKIAIKK-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.23
Rot. Bonds5

About N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine

N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine (PubChem CID 66331387) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
PubChem CID66331387
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCC(Cl)CC2)ncn1
InChIInChI=1S/C13H20ClN3O/c1-2-7-18-13-8-12(15-9-16-13)17-11-5-3-10(14)4-6-11/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyOGMKYQUGKIAIKK-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorocyclohexyl)-6-propoxypyrimidin-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

Related Compounds

6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-(3-chloro-2,2-dimethylcyclobutyl)-6-propoxypyrimidin-4-amine
CID 114632018
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099
4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
CID 114156242
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
CID 66333015
2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
CID 114632753
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
CID 66330181
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82458391

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine (CID 66331387) is N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NC2CCC(Cl)CC2)ncn1.
What is the InChIKey of N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine?
The InChIKey is OGMKYQUGKIAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-7-18-13-8-12(15-9-16-13)17-11-5-3-10(14)4-6-11/h8-11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine?
N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66331387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).