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

C21H26FN3 — CID 145043824

IUPAC(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
InChIInChI=1S/C21H26FN3/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/h3-5,10-12,16H,1,6-9,13-15H2,2H3/b21-18+
InChIKeyOVCXDNIGBOYOKW-DYTRJAOYSA-N
MW339.46 g/mol
LogP4.46
Rot. Bonds6

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

(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine (PubChem CID 145043824) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Name(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine
PubChem CID145043824
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(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
InChIInChI=1S/C21H26FN3/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/h3-5,10-12,16H,1,6-9,13-15H2,2H3/b21-18+
InChIKeyOVCXDNIGBOYOKW-DYTRJAOYSA-N
XLogP4.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[5-(4-Fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine
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(2E)-6-(4-fluorophenyl)-1-methyl-2-(4-methylpent-3-en-2-ylidene)-4-propylpyrimidine
CID 132003421
(2Z)-2-ethylidene-1-[1-(4-fluorophenyl)ethenyl]-5-(5-methyl-2H-pyrrol-4-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The IUPAC name of (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine (CID 145043824) is (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine.
What is the SMILES notation for (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The canonical SMILES for (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.
What is the InChIKey of (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
The InChIKey is OVCXDNIGBOYOKW-DYTRJAOYSA-N. The full InChI is InChI=1S/C21H26FN3/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/h3-5,10-12,16H,1,6-9,13-15H2,2H3/b21-18+.
What are the key properties of (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine?
(2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine has a molecular weight of 339.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-(2-fluorophenyl)prop-2-enylidene]-1-methyl-4-(3-pyrrolidin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 145043824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).