2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

C17H29N3O — CID 80988665

IUPAC2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C17H29N3O/c1-7-14-19-15(18-6)12(3)16(20-14)21-13-8-11(2)9-17(4,5)10-13/h11,13H,7-10H2,1-6H3,(H,18,19,20)
InChIKeyJQNUTGNQFNXPHB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds4

About 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80988665) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80988665
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C17H29N3O/c1-7-14-19-15(18-6)12(3)16(20-14)21-13-8-11(2)9-17(4,5)10-13/h11,13H,7-10H2,1-6H3,(H,18,19,20)
InChIKeyJQNUTGNQFNXPHB-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (CID 80988665) is 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is CCc1nc(NC)c(C)c(OC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is JQNUTGNQFNXPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-14-19-15(18-6)12(3)16(20-14)21-13-8-11(2)9-17(4,5)10-13/h11,13H,7-10H2,1-6H3,(H,18,19,20).
What are the key properties of 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80988665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).