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

C16H19N3O — CID 138670984

IUPAC2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H19N3O/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15/h3-10,13,20H,2,11-12H2,1H3/b6-3+
InChIKeyOLCPTDKCWNWGHH-ZZXKWVIFSA-N
MW269.35 g/mol
LogP2.47
Rot. Bonds6

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

2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (PubChem CID 138670984) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
PubChem CID138670984
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESCCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H19N3O/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15/h3-10,13,20H,2,11-12H2,1H3/b6-3+
InChIKeyOLCPTDKCWNWGHH-ZZXKWVIFSA-N
XLogP2.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (CID 138670984) is 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is CCN(CCO)c1ccc(/C=C/c2ccncn2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The InChIKey is OLCPTDKCWNWGHH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15/h3-10,13,20H,2,11-12H2,1H3/b6-3+.
What are the key properties of 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol has a molecular weight of 269.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is sourced from PubChem (CID 138670984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).