(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine

C21H17F3N4 — CID 135128063

IUPAC(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine
SMILESC=c1c(NC)nc(-c2cccnc2)n/c1=C(F)/C=C(\C)c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N4/c1-12(16-7-6-15(22)10-17(16)23)9-18(24)19-13(2)20(25-3)28-21(27-19)14-5-4-8-26-11-14/h4-11H,2H2,1,3H3,(H,25,27,28)/b12-9+,19-18-
InChIKeyJHJPQGHQRWMLJW-TWPIONJBSA-N
MW382.39 g/mol
LogP3.45
Rot. Bonds4

About (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine

(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 135128063) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID135128063
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine
SMILESC=c1c(NC)nc(-c2cccnc2)n/c1=C(F)/C=C(\C)c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N4/c1-12(16-7-6-15(22)10-17(16)23)9-18(24)19-13(2)20(25-3)28-21(27-19)14-5-4-8-26-11-14/h4-11H,2H2,1,3H3,(H,25,27,28)/b12-9+,19-18-
InChIKeyJHJPQGHQRWMLJW-TWPIONJBSA-N
XLogP3.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine (CID 135128063) is (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine is C=c1c(NC)nc(-c2cccnc2)n/c1=C(F)/C=C(\C)c1ccc(F)cc1F.
What is the InChIKey of (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is JHJPQGHQRWMLJW-TWPIONJBSA-N. The full InChI is InChI=1S/C21H17F3N4/c1-12(16-7-6-15(22)10-17(16)23)9-18(24)19-13(2)20(25-3)28-21(27-19)14-5-4-8-26-11-14/h4-11H,2H2,1,3H3,(H,25,27,28)/b12-9+,19-18-.
What are the key properties of (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine?
(6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-3-(2,4-difluorophenyl)-1-fluorobut-2-enylidene]-N-methyl-5-methylidene-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 135128063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).