4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

C15H13ClN2S — CID 28864492

IUPAC4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(Cl)c2c1-c1ccc(C)cc1
InChIInChI=1S/C15H13ClN2S/c1-3-11-12(10-6-4-9(2)5-7-10)13-14(16)17-8-18-15(13)19-11/h4-8H,3H2,1-2H3
InChIKeyXLGUZHNCTDFANA-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.88
Rot. Bonds2

About 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine

4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 28864492) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
PubChem CID28864492
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILESCCc1sc2ncnc(Cl)c2c1-c1ccc(C)cc1
InChIInChI=1S/C15H13ClN2S/c1-3-11-12(10-6-4-9(2)5-7-10)13-14(16)17-8-18-15(13)19-11/h4-8H,3H2,1-2H3
InChIKeyXLGUZHNCTDFANA-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
6-ethyl-5-(4-methylphenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 28848023
4-chloro-6-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
CID 28864504
4-chloro-5-(3-chloro-1H-indol-4-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 135340182
4-chloro-5-methyl-6-propylthieno[2,3-d]pyrimidine
CID 1222542
5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 21009866
5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 84555580
5-(4-bromophenyl)-6-ethyl-N-(3-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 84550310
2-chloro-6-ethyl-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 82066483
3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 84555575
5-(4-bromophenyl)-6-ethyl-N-(2H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 84550311
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine (CID 28864492) is 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is CCc1sc2ncnc(Cl)c2c1-c1ccc(C)cc1.
What is the InChIKey of 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is XLGUZHNCTDFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-3-11-12(10-6-4-9(2)5-7-10)13-14(16)17-8-18-15(13)19-11/h4-8H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine?
4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 28864492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).