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

C13H21N3O — CID 66326824

IUPACN-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)6-11(5-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyJAYJUXRTJODZBL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds3

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

N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine (PubChem CID 66326824) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
PubChem CID66326824
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C13H21N3O/c1-9-4-10(2)6-11(5-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyJAYJUXRTJODZBL-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80842021
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 114096512
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine (CID 66326824) is N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine is COc1cc(NC2CC(C)CC(C)C2)ncn1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine?
The InChIKey is JAYJUXRTJODZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-10(2)6-11(5-9)16-12-7-13(17-3)15-8-14-12/h7-11H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine?
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66326824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).