4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine

C15H19N3 — CID 82293127

IUPAC4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCCC(C)c1ccc(-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C15H19N3/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKeyHZNPVFIYBDQYFD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine

4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 82293127) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine
PubChem CID82293127
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCCC(C)c1ccc(-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C15H19N3/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18)
InChIKeyHZNPVFIYBDQYFD-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine (CID 82293127) is 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine is CCC(C)c1ccc(-c2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is HZNPVFIYBDQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-10(2)12-5-7-13(8-6-12)14-9-11(3)17-15(16)18-14/h5-10H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine?
4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 241.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 82293127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).