6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

C15H22ClN3 — CID 80953380

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H22ClN3/c1-10-5-3-4-6-12(10)19(2)14-9-13(16)17-15(18-14)11-7-8-11/h9-12H,3-8H2,1-2H3
InChIKeyFEFVFTWYNIGXBU-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 80953380) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
PubChem CID80953380
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H22ClN3/c1-10-5-3-4-6-12(10)19(2)14-9-13(16)17-15(18-14)11-7-8-11/h9-12H,3-8H2,1-2H3
InChIKeyFEFVFTWYNIGXBU-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine (CID 80953380) is 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is CC1CCCCC1N(C)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is FEFVFTWYNIGXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-10-5-3-4-6-12(10)19(2)14-9-13(16)17-15(18-14)11-7-8-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 80953380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).