4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

C13H9ClN2S — CID 708732

IUPAC4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C13H9ClN2S/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(14)15-7-16-13/h2-7H,1H3
InChIKeyIJQIOVCRRZEROH-UHFFFAOYSA-N
MW260.75 g/mol
LogP4.32
Rot. Bonds1

About 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 708732) has the molecular formula C13H9ClN2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
PubChem CID708732
Molecular FormulaC13H9ClN2S
Molecular Weight260.75 g/mol
Exact Mass260.02
IUPAC Name4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C13H9ClN2S/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(14)15-7-16-13/h2-7H,1H3
InChIKeyIJQIOVCRRZEROH-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
5-(4-Bromophenyl)-4-chlorothieno[2,3-d]pyrimidine
CID 938877
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
CID 789817
Ttp 22
CID 1536915
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (CID 708732) is 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3ncnc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is IJQIOVCRRZEROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(14)15-7-16-13/h2-7H,1H3.
What are the key properties of 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 260.75 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 708732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).