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

C13H15N3 — CID 28904875

IUPAC2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
SMILESCc1cc(CCN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N3/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
InChIKeyQTKBHKTXJLIKLL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.95
Rot. Bonds3

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

2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine (PubChem CID 28904875) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
PubChem CID28904875
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
SMILESCc1cc(CCN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N3/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
InChIKeyQTKBHKTXJLIKLL-UHFFFAOYSA-N
XLogP1.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.95
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?
The IUPAC name of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine (CID 28904875) is 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine is Cc1cc(CCN)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine?
The InChIKey is QTKBHKTXJLIKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/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.
What are the key properties of 2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine?
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.95, 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 is sourced from PubChem (CID 28904875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).