1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine

C9H13N3 — CID 130545603

IUPAC1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cnc(C2(N)CCC2)nc1
InChIInChI=1S/C9H13N3/c1-7-5-11-8(12-6-7)9(10)3-2-4-9/h5-6H,2-4,10H2,1H3
InChIKeyUWYQSLBPCUQWPX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds1

About 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine

1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine (PubChem CID 130545603) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
PubChem CID130545603
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
SMILESCc1cnc(C2(N)CCC2)nc1
InChIInChI=1S/C9H13N3/c1-7-5-11-8(12-6-7)9(10)3-2-4-9/h5-6H,2-4,10H2,1H3
InChIKeyUWYQSLBPCUQWPX-UHFFFAOYSA-N
XLogP1.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine (CID 130545603) is 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine is Cc1cnc(C2(N)CCC2)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine?
The InChIKey is UWYQSLBPCUQWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-5-11-8(12-6-7)9(10)3-2-4-9/h5-6H,2-4,10H2,1H3.
What are the key properties of 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine?
1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 130545603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).