3-methyl-2-pyrimidin-5-ylbutan-2-amine

C9H15N3 — CID 62490882

IUPAC3-methyl-2-pyrimidin-5-ylbutan-2-amine
SMILESCC(C)C(C)(N)c1cncnc1
InChIInChI=1S/C9H15N3/c1-7(2)9(3,10)8-4-11-6-12-5-8/h4-7H,10H2,1-3H3
InChIKeyAQLIUQDSCWIJTK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-2-pyrimidin-5-ylbutan-2-amine

3-methyl-2-pyrimidin-5-ylbutan-2-amine (PubChem CID 62490882) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-2-pyrimidin-5-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-2-pyrimidin-5-ylbutan-2-amine
PubChem CID62490882
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-methyl-2-pyrimidin-5-ylbutan-2-amine
SMILESCC(C)C(C)(N)c1cncnc1
InChIInChI=1S/C9H15N3/c1-7(2)9(3,10)8-4-11-6-12-5-8/h4-7H,10H2,1-3H3
InChIKeyAQLIUQDSCWIJTK-UHFFFAOYSA-N
XLogP1.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrimidin-5-ylbutan-2-amine?
The IUPAC name of 3-methyl-2-pyrimidin-5-ylbutan-2-amine (CID 62490882) is 3-methyl-2-pyrimidin-5-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-2-pyrimidin-5-ylbutan-2-amine?
The canonical SMILES for 3-methyl-2-pyrimidin-5-ylbutan-2-amine is CC(C)C(C)(N)c1cncnc1.
What is the InChIKey of 3-methyl-2-pyrimidin-5-ylbutan-2-amine?
The InChIKey is AQLIUQDSCWIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)9(3,10)8-4-11-6-12-5-8/h4-7H,10H2,1-3H3.
What are the key properties of 3-methyl-2-pyrimidin-5-ylbutan-2-amine?
3-methyl-2-pyrimidin-5-ylbutan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrimidin-5-ylbutan-2-amine is sourced from PubChem (CID 62490882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).