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

C18H25N3O — CID 145062072

IUPACethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESCC.CCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H19N3O.C2H6/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15;1-2/h3-10,13,20H,2,11-12H2,1H3;1-2H3/b6-3+;
InChIKeyVRHJSLYRLAQNPX-ZIKNSQGESA-N
MW299.42 g/mol
LogP3.49
Rot. Bonds6

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

ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (PubChem CID 145062072) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.

Molecular Properties

Compound Nameethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
PubChem CID145062072
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Nameethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
SMILESCC.CCN(CCO)c1ccc(/C=C/c2ccncn2)cc1
InChIInChI=1S/C16H19N3O.C2H6/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15;1-2/h3-10,13,20H,2,11-12H2,1H3;1-2H3/b6-3+;
InChIKeyVRHJSLYRLAQNPX-ZIKNSQGESA-N
XLogP3.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.49
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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Related Compounds

2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 138670984
2-[N-(2-aminoethyl)-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 138670226
2-[N-methyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol
CID 121267836
2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
CID 71047580
2-[N-ethyl-4-(3-phenyl-N-pyrimidin-4-ylanilino)anilino]ethanol
CID 91566746
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[propyl(pyrimidin-4-yl)amino]ethanol
CID 61426077
4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate
CID 70404215
2-[N-ethyl-4-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]anilino]ethanol
CID 177467082
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
2-[N-(2-hydroxyethyl)-4-[(E)-2-pyridin-1-ium-4-ylethenyl]anilino]ethanol;methanethiol
CID 145332250

Frequently Asked Questions

What is the IUPAC name of ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The IUPAC name of ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol (CID 145062072) is ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol.
What is the SMILES notation for ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The canonical SMILES for ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is CC.CCN(CCO)c1ccc(/C=C/c2ccncn2)cc1.
What is the InChIKey of ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
The InChIKey is VRHJSLYRLAQNPX-ZIKNSQGESA-N. The full InChI is InChI=1S/C16H19N3O.C2H6/c1-2-19(11-12-20)16-7-4-14(5-8-16)3-6-15-9-10-17-13-18-15;1-2/h3-10,13,20H,2,11-12H2,1H3;1-2H3/b6-3+;.
What are the key properties of ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol?
ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol has a molecular weight of 299.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[N-ethyl-4-[(E)-2-pyrimidin-4-ylethenyl]anilino]ethanol is sourced from PubChem (CID 145062072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).