6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine

C12H18ClN3 — CID 63736474

IUPAC6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVFRRWPHZZUBWNF-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine

6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 63736474) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
PubChem CID63736474
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVFRRWPHZZUBWNF-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-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-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
CID 63728972
4-chloro-6-(cyclooctylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731884
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
N-cyclopentyl-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80932373
N-cyclobutyl-2,5,6-trimethylpyrimidin-4-amine
CID 130906121
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418
6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
CID 71428128
6-chloro-N-(1-cyclohexylpropyl)-2,5-dimethylpyrimidin-4-amine
CID 63728869
6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
CID 64920876

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine (CID 63736474) is 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is VFRRWPHZZUBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-11(13)14-9(2)15-12(8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63736474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).