ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine

C23H32FN3 — CID 145043823

IUPACethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
SMILESC=C/C(=C1/N=C(CCCN2CCCC2)C=CN1C)c1ccccc1F.CC
InChIInChI=1S/C21H26FN3.C2H6/c1-3-18(19-10-4-5-11-20(19)22)21-23-17(12-16-24(21)2)9-8-15-25-13-6-7-14-25;1-2/h3-5,10-12,16H,1,6-9,13-15H2,2H3;1-2H3/b21-18+;
InChIKeyMYVIEWKNWASUDK-GOSREXKOSA-N
MW369.53 g/mol
LogP5.48
Rot. Bonds6

About ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine

ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine (PubChem CID 145043823) has the molecular formula C23H32FN3 and a molecular weight of 369.53 g/mol. Its IUPAC name is ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Nameethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
PubChem CID145043823
Molecular FormulaC23H32FN3
Molecular Weight369.53 g/mol
Exact Mass369.26
IUPAC Nameethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
SMILESC=C/C(=C1/N=C(CCCN2CCCC2)C=CN1C)c1ccccc1F.CC
InChIInChI=1S/C21H26FN3.C2H6/c1-3-18(19-10-4-5-11-20(19)22)21-23-17(12-16-24(21)2)9-8-15-25-13-6-7-14-25;1-2/h3-5,10-12,16H,1,6-9,13-15H2,2H3;1-2H3/b21-18+;
InChIKeyMYVIEWKNWASUDK-GOSREXKOSA-N
XLogP5.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine with MolForge

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Related Compounds

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3-(3,4-difluorophenyl)-7-ethyl-1-methyl-4,8-dihydro-1H-2,7-naphthyridine
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1-[5-(4-Fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine
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1-(4-fluorophenyl)-N-methyl-2-(1-methyl-2H-pyridin-4-yl)prop-2-en-1-imine
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(2Z)-2-ethylidene-1-[1-(4-fluorophenyl)ethenyl]-5-(5-methyl-2H-pyrrol-4-yl)pyridine
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7-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-ylidene]-5,6-dihydroindole
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CID 141415561
(E)-3-fluoro-N-methyl-2-[(Z)-2-(methylamino)ethenyl]imino-5-pyrrolidin-1-yl-4-(2,4,6-trifluorophenyl)pent-3-en-1-amine
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4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine
CID 143117277
(E,3Z)-3-[4-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methylpyrimidin-2-ylidene]-N-(propan-2-ylideneamino)pent-4-en-2-imine
CID 146661110

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The IUPAC name of ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine (CID 145043823) is ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine.
What is the SMILES notation for ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The canonical SMILES for ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine is C=C/C(=C1/N=C(CCCN2CCCC2)C=CN1C)c1ccccc1F.CC.
What is the InChIKey of ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The InChIKey is MYVIEWKNWASUDK-GOSREXKOSA-N. The full InChI is InChI=1S/C21H26FN3.C2H6/c1-3-18(19-10-4-5-11-20(19)22)21-23-17(12-16-24(21)2)9-8-15-25-13-6-7-14-25;1-2/h3-5,10-12,16H,1,6-9,13-15H2,2H3;1-2H3/b21-18+;.
What are the key properties of ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine has a molecular weight of 369.53 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 145043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).