4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine

C13H7Cl2FN2S — CID 63614541

IUPAC4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(-c3c(F)cccc3Cl)nc2s1
InChIInChI=1S/C13H7Cl2FN2S/c1-6-5-7-11(15)17-12(18-13(7)19-6)10-8(14)3-2-4-9(10)16/h2-5H,1H3
InChIKeyHKXHTSOCHOJWIR-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.11
Rot. Bonds1

About 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 63614541) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID63614541
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(-c3c(F)cccc3Cl)nc2s1
InChIInChI=1S/C13H7Cl2FN2S/c1-6-5-7-11(15)17-12(18-13(7)19-6)10-8(14)3-2-4-9(10)16/h2-5H,1H3
InChIKeyHKXHTSOCHOJWIR-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-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 55247605
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
CID 115528625
4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
CID 166119810
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617511
2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616667
6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82168774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine (CID 63614541) is 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(-c3c(F)cccc3Cl)nc2s1.
What is the InChIKey of 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is HKXHTSOCHOJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c1-6-5-7-11(15)17-12(18-13(7)19-6)10-8(14)3-2-4-9(10)16/h2-5H,1H3.
What are the key properties of 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-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-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63614541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).