6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

C13H20ClN3 — CID 62483372

IUPAC6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)C2CCCCC2C)n1
InChIInChI=1S/C13H20ClN3/c1-9-6-4-5-7-11(9)17(3)13-8-12(14)15-10(2)16-13/h8-9,11H,4-7H2,1-3H3
InChIKeyYAYNCSFUANNBOZ-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.45
Rot. Bonds2

About 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 62483372) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
PubChem CID62483372
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)C2CCCCC2C)n1
InChIInChI=1S/C13H20ClN3/c1-9-6-4-5-7-11(9)17(3)13-8-12(14)15-10(2)16-13/h8-9,11H,4-7H2,1-3H3
InChIKeyYAYNCSFUANNBOZ-UHFFFAOYSA-N
XLogP3.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (CID 62483372) is 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is Cc1nc(Cl)cc(N(C)C2CCCCC2C)n1.
What is the InChIKey of 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is YAYNCSFUANNBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-6-4-5-7-11(9)17(3)13-8-12(14)15-10(2)16-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 62483372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).