1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine

C13H23N3 — CID 63318911

IUPAC1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-7-10(14)12-15-9(2)8-11(16-12)13(3,4)5/h8,10H,6-7,14H2,1-5H3
InChIKeyROMPERJCGGORRY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine

1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine (PubChem CID 63318911) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
PubChem CID63318911
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
SMILESCCCC(N)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-7-10(14)12-15-9(2)8-11(16-12)13(3,4)5/h8,10H,6-7,14H2,1-5H3
InChIKeyROMPERJCGGORRY-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 ≤ 500221.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine (CID 63318911) is 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine is CCCC(N)c1nc(C)cc(C(C)(C)C)n1.
What is the InChIKey of 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine?
The InChIKey is ROMPERJCGGORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-7-10(14)12-15-9(2)8-11(16-12)13(3,4)5/h8,10H,6-7,14H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine?
1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine has a molecular weight of 221.35 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 1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 63318911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).