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

C13H23N3 — CID 62745584

IUPAC1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-10(14)8-11-7-9(2)15-12(16-11)13(3,4)5/h7,10H,6,8,14H2,1-5H3
InChIKeyLOIWOAFAKIYQCY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.36
Rot. Bonds3

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

1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine (PubChem CID 62745584) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
PubChem CID62745584
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-6-10(14)8-11-7-9(2)15-12(16-11)13(3,4)5/h7,10H,6,8,14H2,1-5H3
InChIKeyLOIWOAFAKIYQCY-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine (CID 62745584) is 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine is CCC(N)Cc1cc(C)nc(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine?
The InChIKey is LOIWOAFAKIYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-10(14)8-11-7-9(2)15-12(16-11)13(3,4)5/h7,10H,6,8,14H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine?
1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 62745584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).