2-(4-cyclopropylpyrimidin-2-yl)ethanamine

C9H13N3 — CID 63318872

IUPAC2-(4-cyclopropylpyrimidin-2-yl)ethanamine
SMILESNCCc1nccc(C2CC2)n1
InChIInChI=1S/C9H13N3/c10-5-3-9-11-6-4-8(12-9)7-1-2-7/h4,6-7H,1-3,5,10H2
InChIKeyYPNHKOSKKKEJDX-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds3

About 2-(4-cyclopropylpyrimidin-2-yl)ethanamine

2-(4-cyclopropylpyrimidin-2-yl)ethanamine (PubChem CID 63318872) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(4-cyclopropylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylpyrimidin-2-yl)ethanamine
PubChem CID63318872
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(4-cyclopropylpyrimidin-2-yl)ethanamine
SMILESNCCc1nccc(C2CC2)n1
InChIInChI=1S/C9H13N3/c10-5-3-9-11-6-4-8(12-9)7-1-2-7/h4,6-7H,1-3,5,10H2
InChIKeyYPNHKOSKKKEJDX-UHFFFAOYSA-N
XLogP0.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropylpyrimidin-2-yl)ethanamine (CID 63318872) is 2-(4-cyclopropylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylpyrimidin-2-yl)ethanamine is NCCc1nccc(C2CC2)n1.
What is the InChIKey of 2-(4-cyclopropylpyrimidin-2-yl)ethanamine?
The InChIKey is YPNHKOSKKKEJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-5-3-9-11-6-4-8(12-9)7-1-2-7/h4,6-7H,1-3,5,10H2.
What are the key properties of 2-(4-cyclopropylpyrimidin-2-yl)ethanamine?
2-(4-cyclopropylpyrimidin-2-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 63318872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).