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

C15H25N3O — CID 80941322

IUPAC2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCc1nc(N)cc(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-5-13-17-12(16)7-14(18-13)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyGTUIEGQHTKKODY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds3

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

2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80941322) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80941322
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCc1nc(N)cc(OC2CC(C)CC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O/c1-5-13-17-12(16)7-14(18-13)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H2,16,17,18)
InChIKeyGTUIEGQHTKKODY-UHFFFAOYSA-N
XLogP3.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (CID 80941322) is 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is CCc1nc(N)cc(OC2CC(C)CC(C)(C)C2)n1.
What is the InChIKey of 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is GTUIEGQHTKKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-13-17-12(16)7-14(18-13)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80941322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).