2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine

C16H21N3O — CID 66318580

IUPAC2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1cc(OCC)ncn1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-17-15(13-8-6-5-7-9-13)10-14-11-16(20-4-2)19-12-18-14/h5-9,11-12,15,17H,3-4,10H2,1-2H3
InChIKeyAIYKGHUBQUEKQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds7

About 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine

2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine (PubChem CID 66318580) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
PubChem CID66318580
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1cc(OCC)ncn1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-17-15(13-8-6-5-7-9-13)10-14-11-16(20-4-2)19-12-18-14/h5-9,11-12,15,17H,3-4,10H2,1-2H3
InChIKeyAIYKGHUBQUEKQX-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxy-2-pyridinyl)-N-ethyl-1-phenylethanamine
CID 63586312
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 104853290
1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
CID 66333616
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
N-ethyl-1-phenyl-2-quinoxalin-2-ylethanamine
CID 63200105
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
CID 66333376

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine (CID 66318580) is 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine is CCNC(Cc1cc(OCC)ncn1)c1ccccc1.
What is the InChIKey of 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine?
The InChIKey is AIYKGHUBQUEKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-15(13-8-6-5-7-9-13)10-14-11-16(20-4-2)19-12-18-14/h5-9,11-12,15,17H,3-4,10H2,1-2H3.
What are the key properties of 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine?
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 66318580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).