2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine

C17H29N3O — CID 116775589

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(N)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-13-12(3)19-15(20-14(13)18)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H2,18,19,20)
InChIKeyUODXWLDHRBZJLV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds4

About 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine

2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine (PubChem CID 116775589) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
PubChem CID116775589
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(N)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-6-13-12(3)19-15(20-14(13)18)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H2,18,19,20)
InChIKeyUODXWLDHRBZJLV-UHFFFAOYSA-N
XLogP3.76
TPSA61.03 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine (CID 116775589) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine is CCOC1(c2nc(C)c(CC)c(N)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is UODXWLDHRBZJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-13-12(3)19-15(20-14(13)18)17(21-7-2)10-8-16(4,5)9-11-17/h6-11H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116775589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).