2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H29N3O — CID 116779321

IUPAC2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCOC1(c2nc(C)c(C(C)CN)c(C)n2)CCCCC1
InChIInChI=1S/C17H29N3O/c1-5-21-17(9-7-6-8-10-17)16-19-13(3)15(12(2)11-18)14(4)20-16/h12H,5-11,18H2,1-4H3
InChIKeyHTAJDZCHFLYARP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds5

About 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 116779321) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID116779321
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCCOC1(c2nc(C)c(C(C)CN)c(C)n2)CCCCC1
InChIInChI=1S/C17H29N3O/c1-5-21-17(9-7-6-8-10-17)16-19-13(3)15(12(2)11-18)14(4)20-16/h12H,5-11,18H2,1-4H3
InChIKeyHTAJDZCHFLYARP-UHFFFAOYSA-N
XLogP3.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 116779321) is 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is CCOC1(c2nc(C)c(C(C)CN)c(C)n2)CCCCC1.
What is the InChIKey of 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is HTAJDZCHFLYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-21-17(9-7-6-8-10-17)16-19-13(3)15(12(2)11-18)14(4)20-16/h12H,5-11,18H2,1-4H3.
What are the key properties of 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 116779321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).