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

C14H23N3O — CID 66330405

IUPACN-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C14H23N3O/c1-4-18-14-8-13(15-9-16-14)17-12-6-10(2)5-11(3)7-12/h8-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyUQWVJNIHKDXXIL-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.11
Rot. Bonds4

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

N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine (PubChem CID 66330405) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
PubChem CID66330405
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CC(C)CC(C)C2)ncn1
InChIInChI=1S/C14H23N3O/c1-4-18-14-8-13(15-9-16-14)17-12-6-10(2)5-11(3)7-12/h8-12H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyUQWVJNIHKDXXIL-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
6-ethoxy-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66330184
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 80842021
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
CID 66327551
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine (CID 66330405) is N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2CC(C)CC(C)C2)ncn1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine?
The InChIKey is UQWVJNIHKDXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-18-14-8-13(15-9-16-14)17-12-6-10(2)5-11(3)7-12/h8-12H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine?
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.11, 4 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-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66330405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).