6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine

C15H22ClN3 — CID 80951663

IUPAC6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCC1CC(C)CC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H22ClN3/c1-9-5-10(2)7-12(6-9)17-14-8-13(16)18-15(19-14)11-3-4-11/h8-12H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyIHCLRNPVWYGRKI-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.24
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine (PubChem CID 80951663) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
PubChem CID80951663
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCC1CC(C)CC(Nc2cc(Cl)nc(C3CC3)n2)C1
InChIInChI=1S/C15H22ClN3/c1-9-5-10(2)7-12(6-9)17-14-8-13(16)18-15(19-14)11-3-4-11/h8-12H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyIHCLRNPVWYGRKI-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
CID 133421904
6-chloro-2-cyclopropyl-N-(2-propylcyclopropyl)pyrimidin-4-amine
CID 103880293
ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 133420616
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine (CID 80951663) is 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine is CC1CC(C)CC(Nc2cc(Cl)nc(C3CC3)n2)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is IHCLRNPVWYGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-9-5-10(2)7-12(6-9)17-14-8-13(16)18-15(19-14)11-3-4-11/h8-12H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 80951663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).