N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine

C14H22ClN3 — CID 55183880

IUPACN-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(CCCl)C2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-11-10-12(2)17-14(16-11)18(9-8-15)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyWAPVRCFUAXOWQF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.47
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine

N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 55183880) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
PubChem CID55183880
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(CCCl)C2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-11-10-12(2)17-14(16-11)18(9-8-15)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyWAPVRCFUAXOWQF-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine (CID 55183880) is N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N(CCCl)C2CCCCC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is WAPVRCFUAXOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11-10-12(2)17-14(16-11)18(9-8-15)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine?
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 55183880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).