4-butyl-6-methylpyrimidin-2-amine

C9H15N3 — CID 22757446

IUPAC4-butyl-6-methylpyrimidin-2-amine
SMILESCCCCc1cc(C)nc(N)n1
InChIInChI=1S/C9H15N3/c1-3-4-5-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyLWSZNESBAKCMIR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.71
Rot. Bonds3

About 4-butyl-6-methylpyrimidin-2-amine

4-butyl-6-methylpyrimidin-2-amine (PubChem CID 22757446) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-butyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-6-methylpyrimidin-2-amine
PubChem CID22757446
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-butyl-6-methylpyrimidin-2-amine
SMILESCCCCc1cc(C)nc(N)n1
InChIInChI=1S/C9H15N3/c1-3-4-5-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyLWSZNESBAKCMIR-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-butyl-6-methylpyrimidin-2-amine (CID 22757446) is 4-butyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-butyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-butyl-6-methylpyrimidin-2-amine is CCCCc1cc(C)nc(N)n1.
What is the InChIKey of 4-butyl-6-methylpyrimidin-2-amine?
The InChIKey is LWSZNESBAKCMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-5-8-6-7(2)11-9(10)12-8/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-butyl-6-methylpyrimidin-2-amine?
4-butyl-6-methylpyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 22757446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).