2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine

C16H27N3 — CID 79219146

IUPAC2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine
SMILESCCc1nc(C2CCCCC2)nc(CC)c1CCN
InChIInChI=1S/C16H27N3/c1-3-14-13(10-11-17)15(4-2)19-16(18-14)12-8-6-5-7-9-12/h12H,3-11,17H2,1-2H3
InChIKeyRCOLTDCNELFQNX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine

2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine (PubChem CID 79219146) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine
PubChem CID79219146
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine
SMILESCCc1nc(C2CCCCC2)nc(CC)c1CCN
InChIInChI=1S/C16H27N3/c1-3-14-13(10-11-17)15(4-2)19-16(18-14)12-8-6-5-7-9-12/h12H,3-11,17H2,1-2H3
InChIKeyRCOLTDCNELFQNX-UHFFFAOYSA-N
XLogP3.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine (CID 79219146) is 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine is CCc1nc(C2CCCCC2)nc(CC)c1CCN.
What is the InChIKey of 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The InChIKey is RCOLTDCNELFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14-13(10-11-17)15(4-2)19-16(18-14)12-8-6-5-7-9-12/h12H,3-11,17H2,1-2H3.
What are the key properties of 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine?
2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-4,6-diethylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 79219146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).