6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H26ClN3 — CID 80978639

IUPAC6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1CC(C)CC(C)C1
InChIInChI=1S/C16H26ClN3/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-10(3)6-11(4)8-13/h9-11,13H,6-8H2,1-5H3,(H,18,19,20)
InChIKeyKZGVBYONQUPQRL-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80978639) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80978639
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1CC(C)CC(C)C1
InChIInChI=1S/C16H26ClN3/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-10(3)6-11(4)8-13/h9-11,13H,6-8H2,1-5H3,(H,18,19,20)
InChIKeyKZGVBYONQUPQRL-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-(3-methylsulfanylcyclopentyl)-2-propan-2-ylpyrimidin-4-amine
CID 114123821
6-chloro-5-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 82728998
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115697112
4-N-(3,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992735
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
CID 106214696
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
6-chloro-5-methyl-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971108
6-chloro-N-cyclopropyl-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82458974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80978639) is 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC1CC(C)CC(C)C1.
What is the InChIKey of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KZGVBYONQUPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-9(2)15-19-14(17)12(5)16(20-15)18-13-7-10(3)6-11(4)8-13/h9-11,13H,6-8H2,1-5H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80978639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).