4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine

C15H12ClFN2S — CID 141162077

IUPAC4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine
SMILESCC1=CC(c2ccc(F)cc2Cl)N=C(c2cccs2)N1
InChIInChI=1S/C15H12ClFN2S/c1-9-7-13(11-5-4-10(17)8-12(11)16)19-15(18-9)14-3-2-6-20-14/h2-8,13H,1H3,(H,18,19)
InChIKeyUWAVFOYEHNULME-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.54
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine

4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine (PubChem CID 141162077) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine
PubChem CID141162077
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC Name4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine
SMILESCC1=CC(c2ccc(F)cc2Cl)N=C(c2cccs2)N1
InChIInChI=1S/C15H12ClFN2S/c1-9-7-13(11-5-4-10(17)8-12(11)16)19-15(18-9)14-3-2-6-20-14/h2-8,13H,1H3,(H,18,19)
InChIKeyUWAVFOYEHNULME-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine (CID 141162077) is 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine is CC1=CC(c2ccc(F)cc2Cl)N=C(c2cccs2)N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine?
The InChIKey is UWAVFOYEHNULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c1-9-7-13(11-5-4-10(17)8-12(11)16)19-15(18-9)14-3-2-6-20-14/h2-8,13H,1H3,(H,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine?
4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-6-methyl-2-thiophen-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 141162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).