2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol

C16H20N4O — CID 138670226

IUPAC2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESNCCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H20N4O/c17-8-10-20(11-12-21)16-5-2-14(3-6-16)1-4-15-7-9-18-13-19-15/h1-7,9,13,21H,8,10-12,17H2/b4-1+
InChIKeyWCOBDJMVKGOMJH-DAFODLJHSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds7

About 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol

2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (PubChem CID 138670226) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
PubChem CID138670226
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESNCCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H20N4O/c17-8-10-20(11-12-21)16-5-2-14(3-6-16)1-4-15-7-9-18-13-19-15/h1-7,9,13,21H,8,10-12,17H2/b4-1+
InChIKeyWCOBDJMVKGOMJH-DAFODLJHSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 138670984
ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 145062072
2-[N-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 121267836
2-[4-[2-[1-(5-aminopentyl)pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 142746744
2-[N-(2-hydroxyethyl)-4-[(E)-2-pyridin-1-ium-4-ylethenyl]anilino]ethanol;methanethiol
CID 145332250
2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
CID 141489653
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
CID 69382190
2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
CID 56646588
4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine
CID 127265152
4-[(E)-2-[3-[(E)-2-pyrimidin-4-ylethenyl]phenyl]ethenyl]pyrimidine
CID 15527806
2-[4-[2-[1-[2-[2-[4-[2-[4-[bis(2-hydroxyethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium-4-yl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 76595602
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (CID 138670226) is 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is NCCN(CCO)c1ccc(/C=C/c2ccncn2)cc1.
What is the InChIKey of 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The InChIKey is WCOBDJMVKGOMJH-DAFODLJHSA-N. The full InChI is InChI=1S/C16H20N4O/c17-8-10-20(11-12-21)16-5-2-14(3-6-16)1-4-15-7-9-18-13-19-15/h1-7,9,13,21H,8,10-12,17H2/b4-1+.
What are the key properties of 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol has a molecular weight of 284.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is sourced from PubChem (CID 138670226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).