2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine

C13H21N3 — CID 63559786

IUPAC2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(C2CCCCC2)nc(N)c1C
InChIInChI=1S/C13H21N3/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJDEJGUWXVNUWNL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds2

About 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine

2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 63559786) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID63559786
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(C2CCCCC2)nc(N)c1C
InChIInChI=1S/C13H21N3/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyJDEJGUWXVNUWNL-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine (CID 63559786) is 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(C2CCCCC2)nc(N)c1C.
What is the InChIKey of 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is JDEJGUWXVNUWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11-9(2)12(14)16-13(15-11)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine?
2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63559786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).