N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine

C13H20ClN3 — CID 65029242

IUPACN-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCC2CCCCC2Cl)ncn1
InChIInChI=1S/C13H20ClN3/c1-2-11-7-13(17-9-16-11)15-8-10-5-3-4-6-12(10)14/h7,9-10,12H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyKNPGMHPKSVYQSM-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.25
Rot. Bonds4

About N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine

N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine (PubChem CID 65029242) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
PubChem CID65029242
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NCC2CCCCC2Cl)ncn1
InChIInChI=1S/C13H20ClN3/c1-2-11-7-13(17-9-16-11)15-8-10-5-3-4-6-12(10)14/h7,9-10,12H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyKNPGMHPKSVYQSM-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-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

N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
CID 66333015
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
CID 65029619
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
CID 72941041
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-(2-cyclopropylpropan-2-yl)-6-ethylpyrimidin-4-amine
CID 103703591
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
CID 61234216
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
6-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 61241083
N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
CID 63541689

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine (CID 65029242) is N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine is CCc1cc(NCC2CCCCC2Cl)ncn1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine?
The InChIKey is KNPGMHPKSVYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-2-11-7-13(17-9-16-11)15-8-10-5-3-4-6-12(10)14/h7,9-10,12H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine?
N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 65029242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).