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

C13H10N2S — CID 102577469

IUPAC4-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2S/c1-9-2-4-10(5-3-9)12-11-6-7-16-13(11)15-8-14-12/h2-8H,1H3
InChIKeyULKBEIRYKDGPQM-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.67
Rot. Bonds1

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

4-(4-methylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 102577469) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(4-methylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)thieno[2,3-d]pyrimidine
PubChem CID102577469
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name4-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2S/c1-9-2-4-10(5-3-9)12-11-6-7-16-13(11)15-8-14-12/h2-8H,1H3
InChIKeyULKBEIRYKDGPQM-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Ttp 22
CID 1536915
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid)
CID 71583208
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylphenyl)thieno[2,3-d]pyrimidine (CID 102577469) is 4-(4-methylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)thieno[2,3-d]pyrimidine is Cc1ccc(-c2ncnc3sccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is ULKBEIRYKDGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-9-2-4-10(5-3-9)12-11-6-7-16-13(11)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-(4-methylphenyl)thieno[2,3-d]pyrimidine?
4-(4-methylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 226.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 102577469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).