N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine

C16H21N3 — CID 102923282

IUPACN-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1cncnc1
InChIInChI=1S/C16H21N3/c1-3-13-5-7-14(8-6-13)9-16(19-4-2)15-10-17-12-18-11-15/h5-8,10-12,16,19H,3-4,9H2,1-2H3
InChIKeyMEKNHLIZPWLBHH-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine

N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923282) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
PubChem CID102923282
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1cncnc1
InChIInChI=1S/C16H21N3/c1-3-13-5-7-14(8-6-13)9-16(19-4-2)15-10-17-12-18-11-15/h5-8,10-12,16,19H,3-4,9H2,1-2H3
InChIKeyMEKNHLIZPWLBHH-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 62491546
N-ethyl-2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106754957
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
CID 146145822
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
N-ethyl-1-pyrimidin-5-yl-2-quinolin-4-ylethanamine
CID 102923542
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine (CID 102923282) is N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine is CCNC(Cc1ccc(CC)cc1)c1cncnc1.
What is the InChIKey of N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is MEKNHLIZPWLBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-13-5-7-14(8-6-13)9-16(19-4-2)15-10-17-12-18-11-15/h5-8,10-12,16,19H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine?
N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).