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

C16H15ClN2S2 — CID 103323026

IUPAC2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(SCc3cccc(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H15ClN2S2/c1-3-12-8-13-14(18-16(17)19-15(13)21-12)20-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3
InChIKeyHKFQNCLNQODFRF-UHFFFAOYSA-N
MW334.90 g/mol
LogP5.51
Rot. Bonds4

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

2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 103323026) has the molecular formula C16H15ClN2S2 and a molecular weight of 334.90 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
PubChem CID103323026
Molecular FormulaC16H15ClN2S2
Molecular Weight334.90 g/mol
Exact Mass334.04
IUPAC Name2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(SCc3cccc(C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H15ClN2S2/c1-3-12-8-13-14(18-16(17)19-15(13)21-12)20-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3
InChIKeyHKFQNCLNQODFRF-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.90
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
4-benzylsulfanyl-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334260
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
CID 962610
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28896346
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine (CID 103323026) is 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine is CCc1cc2c(SCc3cccc(C)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is HKFQNCLNQODFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S2/c1-3-12-8-13-14(18-16(17)19-15(13)21-12)20-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine?
2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 334.90 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103323026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).