6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine

C16H27N3O — CID 82453955

IUPAC6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC2CCCCC2C)cc(OCC)n1
InChIInChI=1S/C16H27N3O/c1-4-8-14-18-15(11-16(19-14)20-5-2)17-13-10-7-6-9-12(13)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyWBOWVINRISPDQW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds6

About 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine

6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine (PubChem CID 82453955) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
PubChem CID82453955
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC2CCCCC2C)cc(OCC)n1
InChIInChI=1S/C16H27N3O/c1-4-8-14-18-15(11-16(19-14)20-5-2)17-13-10-7-6-9-12(13)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyWBOWVINRISPDQW-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine (CID 82453955) is 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine is CCCc1nc(NC2CCCCC2C)cc(OCC)n1.
What is the InChIKey of 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine?
The InChIKey is WBOWVINRISPDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-8-14-18-15(11-16(19-14)20-5-2)17-13-10-7-6-9-12(13)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine?
6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82453955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).