6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine

C15H14F2N4S — CID 123708094

IUPAC6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine
SMILES[H]/N=C1\C(C)N=C(c2nccs2)NC1(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4S/c1-8-12(18)15(2,9-3-4-10(16)11(17)7-9)21-13(20-8)14-19-5-6-22-14/h3-8,18H,1-2H3,(H,20,21)/b18-12+
InChIKeyZVSOQNHTMAXQFX-LDADJPATSA-N
MW320.37 g/mol
LogP3.09
Rot. Bonds2

About 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine

6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine (PubChem CID 123708094) has the molecular formula C15H14F2N4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine
PubChem CID123708094
Molecular FormulaC15H14F2N4S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine
SMILES[H]/N=C1\C(C)N=C(c2nccs2)NC1(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N4S/c1-8-12(18)15(2,9-3-4-10(16)11(17)7-9)21-13(20-8)14-19-5-6-22-14/h3-8,18H,1-2H3,(H,20,21)/b18-12+
InChIKeyZVSOQNHTMAXQFX-LDADJPATSA-N
XLogP3.09
TPSA61.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine 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 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine?
The IUPAC name of 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine (CID 123708094) is 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine?
The canonical SMILES for 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine is [H]/N=C1\C(C)N=C(c2nccs2)NC1(C)c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine?
The InChIKey is ZVSOQNHTMAXQFX-LDADJPATSA-N. The full InChI is InChI=1S/C15H14F2N4S/c1-8-12(18)15(2,9-3-4-10(16)11(17)7-9)21-13(20-8)14-19-5-6-22-14/h3-8,18H,1-2H3,(H,20,21)/b18-12+.
What are the key properties of 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine?
6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine has a molecular weight of 320.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-4,6-dimethyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-5-imine is sourced from PubChem (CID 123708094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).