2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine

C10H7Cl2FN2 — CID 131862364

IUPAC2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine
SMILESFC1=C(Cl)NC(Cl)=NC1c1ccccc1
InChIInChI=1S/C10H7Cl2FN2/c11-9-7(13)8(14-10(12)15-9)6-4-2-1-3-5-6/h1-5,8H,(H,14,15)
InChIKeyIKWTUGYEMUTUEE-UHFFFAOYSA-N
MW245.08 g/mol
LogP3.30
Rot. Bonds1

About 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine

2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine (PubChem CID 131862364) has the molecular formula C10H7Cl2FN2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine
PubChem CID131862364
Molecular FormulaC10H7Cl2FN2
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC Name2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine
SMILESFC1=C(Cl)NC(Cl)=NC1c1ccccc1
InChIInChI=1S/C10H7Cl2FN2/c11-9-7(13)8(14-10(12)15-9)6-4-2-1-3-5-6/h1-5,8H,(H,14,15)
InChIKeyIKWTUGYEMUTUEE-UHFFFAOYSA-N
XLogP3.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,6-dichloro-5-fluoro-4-phenyl-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

N-benzyl-2,2,2-trichloro-acetamidine
CID 2301651
2,2,2-trichloro-N'-[(1S)-1-phenylethyl]ethanimidamide;hydrochloride
CID 12504690
2,2,2-trichloro-N'-[(1R)-1-phenylethyl]ethanimidamide;hydrochloride
CID 12504691
4-Benzyl-2,5,6-trichloro-1,4-dihydropyrimidine
CID 134892278
Guanidine, (1-phenylethyl)-, (+)-
CID 228028
Phenylathyldiguanid
CID 416067
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
4-phenyl-2,6-bis(trichloromethyl)-4-(trifluoromethyl)-1H-1,3,5-triazine
CID 12947651
2,4,6-tris[chloro(difluoro)methyl]-4-phenyl-1H-1,3,5-triazine
CID 23233454
2-Benzhydrylguanidine
CID 58487
1-(p-Fluorobenzyl)biguanide monohydrochloride
CID 11971727
1-(alpha-Methylbenzyl)biguanide monohydrochloride
CID 11971861

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine (CID 131862364) is 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine is FC1=C(Cl)NC(Cl)=NC1c1ccccc1.
What is the InChIKey of 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine?
The InChIKey is IKWTUGYEMUTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2/c11-9-7(13)8(14-10(12)15-9)6-4-2-1-3-5-6/h1-5,8H,(H,14,15).
What are the key properties of 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine?
2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine has a molecular weight of 245.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 131862364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).