2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride

C7H12ClN3 — CID 129319573

IUPAC2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
SMILESCc1nccc(CCN)n1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-6-9-5-3-7(10-6)2-4-8;/h3,5H,2,4,8H2,1H3;1H
InChIKeyONABRIOWIDKAPP-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.71
Rot. Bonds2

About 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride

2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride (PubChem CID 129319573) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
PubChem CID129319573
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
SMILESCc1nccc(CCN)n1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-6-9-5-3-7(10-6)2-4-8;/h3,5H,2,4,8H2,1H3;1H
InChIKeyONABRIOWIDKAPP-UHFFFAOYSA-N
XLogP0.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride (CID 129319573) is 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride is Cc1nccc(CCN)n1.Cl.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride?
The InChIKey is ONABRIOWIDKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-6-9-5-3-7(10-6)2-4-8;/h3,5H,2,4,8H2,1H3;1H.
What are the key properties of 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride?
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 129319573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).