4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine

C13H7Cl2FN2S — CID 11565869

IUPAC4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc12
InChIInChI=1S/C13H7Cl2FN2S/c1-6-5-19-11-10(6)17-13(18-12(11)15)7-2-3-8(14)9(16)4-7/h2-5H,1H3
InChIKeyLESXBDVHELMHTB-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.11
Rot. Bonds1

About 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine

4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine (PubChem CID 11565869) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
PubChem CID11565869
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc12
InChIInChI=1S/C13H7Cl2FN2S/c1-6-5-19-11-10(6)17-13(18-12(11)15)7-2-3-8(14)9(16)4-7/h2-5H,1H3
InChIKeyLESXBDVHELMHTB-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.18
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
CID 107999704
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
CID 114021117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine (CID 11565869) is 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine is Cc1csc2c(Cl)nc(-c3ccc(Cl)c(F)c3)nc12.
What is the InChIKey of 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is LESXBDVHELMHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c1-6-5-19-11-10(6)17-13(18-12(11)15)7-2-3-8(14)9(16)4-7/h2-5H,1H3.
What are the key properties of 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine?
4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 313.18 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 11565869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).