6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine

C14H23N3O — CID 80876542

IUPAC6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
SMILESCCC1CCCC(Oc2ncnc(NC)c2C)C1
InChIInChI=1S/C14H23N3O/c1-4-11-6-5-7-12(8-11)18-14-10(2)13(15-3)16-9-17-14/h9,11-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyVWJWFZBKPMWNSM-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.17
Rot. Bonds4

About 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine

6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine (PubChem CID 80876542) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
PubChem CID80876542
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
SMILESCCC1CCCC(Oc2ncnc(NC)c2C)C1
InChIInChI=1S/C14H23N3O/c1-4-11-6-5-7-12(8-11)18-14-10(2)13(15-3)16-9-17-14/h9,11-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyVWJWFZBKPMWNSM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine deriv. 13b
CID 5329592
(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine
CID 5329591
6-(Cyclohexylmethoxy)pyrimidin-4-amine
CID 80880310
2,4-Diamino-6-(cyclohexylmethoxy)pyrimidine-5-carbonitrile
CID 76316657
2-Chloro-4-(3-ethylcyclohexyl)oxy-5-fluoropyrimidine
CID 79080964
N-ethyl-5-fluoro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-2-amine
CID 80843631
5-fluoro-N-methyl-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
CID 80858091
5-fluoro-4-(4-methylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 80858167
5-fluoro-N-methyl-4-(4-methylcyclohexyl)oxypyrimidin-2-amine
CID 80858349
4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80858355
5-Fluoro-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
CID 80858364
4-(2-Ethylcyclohexyl)oxy-5-fluoropyrimidin-2-amine
CID 80858444

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine (CID 80876542) is 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine is CCC1CCCC(Oc2ncnc(NC)c2C)C1.
What is the InChIKey of 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine?
The InChIKey is VWJWFZBKPMWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-11-6-5-7-12(8-11)18-14-10(2)13(15-3)16-9-17-14/h9,11-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine?
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80876542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).