[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine

C13H21N3 — CID 121206759

IUPAC[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(CC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-15-12(8-13(9-14)16-10)7-11-5-3-2-4-6-11/h8,11H,2-7,9,14H2,1H3
InChIKeyUSLFZADLNGEPHG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds3

About [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine

[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine (PubChem CID 121206759) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
PubChem CID121206759
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
SMILESCc1nc(CN)cc(CC2CCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-15-12(8-13(9-14)16-10)7-11-5-3-2-4-6-11/h8,11H,2-7,9,14H2,1H3
InChIKeyUSLFZADLNGEPHG-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine (CID 121206759) is [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine is Cc1nc(CN)cc(CC2CCCCC2)n1.
What is the InChIKey of [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine?
The InChIKey is USLFZADLNGEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-15-12(8-13(9-14)16-10)7-11-5-3-2-4-6-11/h8,11H,2-7,9,14H2,1H3.
What are the key properties of [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine?
[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 121206759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).