2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride

C13H16ClN3 — CID 82022817

IUPAC2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
SMILESCc1cc(CCN)nc(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H15N3.ClH/c1-10-9-12(7-8-14)16-13(15-10)11-5-3-2-4-6-11;/h2-6,9H,7-8,14H2,1H3;1H
InChIKeyDORRAZFVPIDVRV-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.38
Rot. Bonds3

About 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride

2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride (PubChem CID 82022817) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
PubChem CID82022817
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
SMILESCc1cc(CCN)nc(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H15N3.ClH/c1-10-9-12(7-8-14)16-13(15-10)11-5-3-2-4-6-11;/h2-6,9H,7-8,14H2,1H3;1H
InChIKeyDORRAZFVPIDVRV-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride (CID 82022817) is 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride is Cc1cc(CCN)nc(-c2ccccc2)n1.Cl.
What is the InChIKey of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride?
The InChIKey is DORRAZFVPIDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.ClH/c1-10-9-12(7-8-14)16-13(15-10)11-5-3-2-4-6-11;/h2-6,9H,7-8,14H2,1H3;1H.
What are the key properties of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride?
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride has a molecular weight of 249.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 82022817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).