2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride

C9H15Cl2N3 — CID 155973092

IUPAC2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc(C2CC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c10-4-3-7-5-11-9(12-6-7)8-1-2-8;;/h5-6,8H,1-4,10H2;2*1H
InChIKeyKWVKBBNWWJWHGX-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride

2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride (PubChem CID 155973092) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride
PubChem CID155973092
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1cnc(C2CC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c10-4-3-7-5-11-9(12-6-7)8-1-2-8;;/h5-6,8H,1-4,10H2;2*1H
InChIKeyKWVKBBNWWJWHGX-UHFFFAOYSA-N
XLogP1.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride (CID 155973092) is 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1cnc(C2CC2)nc1.
What is the InChIKey of 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride?
The InChIKey is KWVKBBNWWJWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c10-4-3-7-5-11-9(12-6-7)8-1-2-8;;/h5-6,8H,1-4,10H2;2*1H.
What are the key properties of 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride?
2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpyrimidin-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 155973092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).