1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine

C16H27N3 — CID 65414649

IUPAC1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCCC1CCCC(c2nc(C)cc(CC(C)N)n2)C1
InChIInChI=1S/C16H27N3/c1-4-13-6-5-7-14(10-13)16-18-12(3)9-15(19-16)8-11(2)17/h9,11,13-14H,4-8,10,17H2,1-3H3
InChIKeyZPZVLWZULAPHJR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine

1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine (PubChem CID 65414649) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
PubChem CID65414649
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCCC1CCCC(c2nc(C)cc(CC(C)N)n2)C1
InChIInChI=1S/C16H27N3/c1-4-13-6-5-7-14(10-13)16-18-12(3)9-15(19-16)8-11(2)17/h9,11,13-14H,4-8,10,17H2,1-3H3
InChIKeyZPZVLWZULAPHJR-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine (CID 65414649) is 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine is CCC1CCCC(c2nc(C)cc(CC(C)N)n2)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The InChIKey is ZPZVLWZULAPHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13-6-5-7-14(10-13)16-18-12(3)9-15(19-16)8-11(2)17/h9,11,13-14H,4-8,10,17H2,1-3H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine?
1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 65414649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).