6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine

C13H21N3 — CID 122238954

IUPAC6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(CCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-15-12(9-13(14)16-10)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyRXULYAHKFBWIKO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds3

About 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine

6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine (PubChem CID 122238954) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine
PubChem CID122238954
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(CCC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-15-12(9-13(14)16-10)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16)
InChIKeyRXULYAHKFBWIKO-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine (CID 122238954) is 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(CCC2CCCCC2)n1.
What is the InChIKey of 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine?
The InChIKey is RXULYAHKFBWIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-15-12(9-13(14)16-10)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine?
6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 122238954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).