2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine

C14H17N3 — CID 63196981

IUPAC2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
SMILESCCc1cc(CC(N)c2ccccc2)ncn1
InChIInChI=1S/C14H17N3/c1-2-12-8-13(17-10-16-12)9-14(15)11-6-4-3-5-7-11/h3-8,10,14H,2,9,15H2,1H3
InChIKeyPAKDCELMJDEWAH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine

2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine (PubChem CID 63196981) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
PubChem CID63196981
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
SMILESCCc1cc(CC(N)c2ccccc2)ncn1
InChIInChI=1S/C14H17N3/c1-2-12-8-13(17-10-16-12)9-14(15)11-6-4-3-5-7-11/h3-8,10,14H,2,9,15H2,1H3
InChIKeyPAKDCELMJDEWAH-UHFFFAOYSA-N
XLogP2.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine?
The IUPAC name of 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine (CID 63196981) is 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine?
The canonical SMILES for 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine is CCc1cc(CC(N)c2ccccc2)ncn1.
What is the InChIKey of 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine?
The InChIKey is PAKDCELMJDEWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12-8-13(17-10-16-12)9-14(15)11-6-4-3-5-7-11/h3-8,10,14H,2,9,15H2,1H3.
What are the key properties of 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine?
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine is sourced from PubChem (CID 63196981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).