4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine

C17H10Cl2F4N2 — CID 141208435

IUPAC4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine
SMILESFc1cc(F)c(C2=NC(c3ccc(F)cc3Cl)C=C(CCl)N2)c(F)c1
InChIInChI=1S/C17H10Cl2F4N2/c18-7-10-6-15(11-2-1-8(20)3-12(11)19)25-17(24-10)16-13(22)4-9(21)5-14(16)23/h1-6,15H,7H2,(H,24,25)
InChIKeyBFKPZQFDVAZFRM-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.11
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine

4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine (PubChem CID 141208435) has the molecular formula C17H10Cl2F4N2 and a molecular weight of 389.18 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine
PubChem CID141208435
Molecular FormulaC17H10Cl2F4N2
Molecular Weight389.18 g/mol
Exact Mass388.02
IUPAC Name4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine
SMILESFc1cc(F)c(C2=NC(c3ccc(F)cc3Cl)C=C(CCl)N2)c(F)c1
InChIInChI=1S/C17H10Cl2F4N2/c18-7-10-6-15(11-2-1-8(20)3-12(11)19)25-17(24-10)16-13(22)4-9(21)5-14(16)23/h1-6,15H,7H2,(H,24,25)
InChIKeyBFKPZQFDVAZFRM-UHFFFAOYSA-N
XLogP5.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44573408
5-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1H-imidazole
CID 22612691
2-(2-chloro-6-fluorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3a,4-dihydro-1H-benzimidazole
CID 144233237
2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
CID 3288712
2-(2-chloro-4-fluorophenyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106475031
6-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106520994
6-(2-chloro-5-fluorophenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106523031
2-(2-chlorophenyl)-N-[1-(3,5-difluoro-2-methylphenyl)ethenyl]-6-ethyl-1,5-dimethyl-2H-pyrimidin-4-amine
CID 142125467
2-(2-chlorophenyl)-N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
CID 142125766
2-(2-chlorophenyl)-N-[1-(3-fluoro-2-methylphenyl)ethenyl]-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-amine
CID 142126190
2-amino-N'-[(2-chlorophenyl)methyl]-N-[1-(5-fluoro-2-methylphenyl)ethenyl]cyclopentene-1-carboximidamide
CID 142127018
2-amino-N'-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-2-methylphenyl)ethenyl]cycloheptene-1-carboximidamide
CID 142127239

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine (CID 141208435) is 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine is Fc1cc(F)c(C2=NC(c3ccc(F)cc3Cl)C=C(CCl)N2)c(F)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine?
The InChIKey is BFKPZQFDVAZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F4N2/c18-7-10-6-15(11-2-1-8(20)3-12(11)19)25-17(24-10)16-13(22)4-9(21)5-14(16)23/h1-6,15H,7H2,(H,24,25).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine?
4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine has a molecular weight of 389.18 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-6-(chloromethyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 141208435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).