2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine

C13H20ClN3 — CID 62483644

IUPAC2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)C2CCCCC2)nc(Cl)n1
InChIInChI=1S/C13H20ClN3/c1-9-8-12(17-13(14)15-9)16-10(2)11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyWZDIZYWACQWPES-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine

2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine (PubChem CID 62483644) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
PubChem CID62483644
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)C2CCCCC2)nc(Cl)n1
InChIInChI=1S/C13H20ClN3/c1-9-8-12(17-13(14)15-9)16-10(2)11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyWZDIZYWACQWPES-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine (CID 62483644) is 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine is Cc1cc(NC(C)C2CCCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine?
The InChIKey is WZDIZYWACQWPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-8-12(17-13(14)15-9)16-10(2)11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine?
2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62483644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).