N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine

C13H21N3 — CID 64723771

IUPACN-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C13H21N3/c1-9-4-10(2)6-12(5-9)16-13-7-11(3)14-8-15-13/h7-10,12H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyWTRFRUDJCJYQIL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine

N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 64723771) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID64723771
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C13H21N3/c1-9-4-10(2)6-12(5-9)16-13-7-11(3)14-8-15-13/h7-10,12H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyWTRFRUDJCJYQIL-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80842021
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
1-N-(6-methylpyrimidin-4-yl)cyclopropane-1,2-diamine
CID 61226903
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 90249167
6-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 16876383
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 133399476

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine (CID 64723771) is N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CC(C)CC(C)C2)ncn1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is WTRFRUDJCJYQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-10(2)6-12(5-9)16-13-7-11(3)14-8-15-13/h7-10,12H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine?
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 64723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).