N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine

C11H16ClN3 — CID 102637783

IUPACN-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCCCC1Cl
InChIInChI=1S/C11H16ClN3/c1-15(11-6-7-13-8-14-11)10-5-3-2-4-9(10)12/h6-10H,2-5H2,1H3
InChIKeyYBHXGXVIJSAJNO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.46
Rot. Bonds2

About N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine

N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine (PubChem CID 102637783) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine
PubChem CID102637783
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC NameN-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCCCC1Cl
InChIInChI=1S/C11H16ClN3/c1-15(11-6-7-13-8-14-11)10-5-3-2-4-9(10)12/h6-10H,2-5H2,1H3
InChIKeyYBHXGXVIJSAJNO-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine
CID 102637873
N-(2-chlorocyclohexyl)-6-methoxy-N-methylpyrazin-2-amine
CID 102637792
7-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126888935
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 130591579
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
CID 110139378
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
CID 102637752
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993072
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine (CID 102637783) is N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine?
The InChIKey is YBHXGXVIJSAJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15(11-6-7-13-8-14-11)10-5-3-2-4-9(10)12/h6-10H,2-5H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine?
N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102637783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).