2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine

C15H25N3 — CID 63318666

IUPAC2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cc(C2CCCCC2)n1
InChIInChI=1S/C15H25N3/c1-4-15(3,16)14-17-11(2)10-13(18-14)12-8-6-5-7-9-12/h10,12H,4-9,16H2,1-3H3
InChIKeyFAZITLRWMGNIMB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.42
Rot. Bonds3

About 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine

2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine (PubChem CID 63318666) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine
PubChem CID63318666
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc(C)cc(C2CCCCC2)n1
InChIInChI=1S/C15H25N3/c1-4-15(3,16)14-17-11(2)10-13(18-14)12-8-6-5-7-9-12/h10,12H,4-9,16H2,1-3H3
InChIKeyFAZITLRWMGNIMB-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine (CID 63318666) is 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine is CCC(C)(N)c1nc(C)cc(C2CCCCC2)n1.
What is the InChIKey of 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine?
The InChIKey is FAZITLRWMGNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(3,16)14-17-11(2)10-13(18-14)12-8-6-5-7-9-12/h10,12H,4-9,16H2,1-3H3.
What are the key properties of 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine?
2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-6-methylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 63318666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).