6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine

C15H24ClN3 — CID 80978454

IUPAC6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-5-12-18-13(16)10(2)14(19-12)17-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPRTIYXIGUSOKQB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.38
Rot. Bonds3

About 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80978454) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80978454
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-5-12-18-13(16)10(2)14(19-12)17-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyPRTIYXIGUSOKQB-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984810
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 133348560
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
2-[4-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 71980314
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine
CID 103724841
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80974155
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80978454) is 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is PRTIYXIGUSOKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-5-12-18-13(16)10(2)14(19-12)17-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80978454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).