4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine

C12H11ClN4S3 — CID 60875988

IUPAC4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(SCc2nc(Cl)c3c(C)c(C)sc3n2)s1
InChIInChI=1S/C12H11ClN4S3/c1-5-6(2)19-11-9(5)10(13)14-8(15-11)4-18-12-17-16-7(3)20-12/h4H2,1-3H3
InChIKeyZEYRSKMMPPZGGV-UHFFFAOYSA-N
MW342.90 g/mol
LogP4.41
Rot. Bonds3

About 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine (PubChem CID 60875988) has the molecular formula C12H11ClN4S3 and a molecular weight of 342.90 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
PubChem CID60875988
Molecular FormulaC12H11ClN4S3
Molecular Weight342.90 g/mol
Exact Mass341.98
IUPAC Name4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(SCc2nc(Cl)c3c(C)c(C)sc3n2)s1
InChIInChI=1S/C12H11ClN4S3/c1-5-6(2)19-11-9(5)10(13)14-8(15-11)4-18-12-17-16-7(3)20-12/h4H2,1-3H3
InChIKeyZEYRSKMMPPZGGV-UHFFFAOYSA-N
XLogP4.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 107779311
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818
4-chloro-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 2412396
2-(butoxymethyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43267662
4-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 62129002

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine (CID 60875988) is 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine is Cc1nnc(SCc2nc(Cl)c3c(C)c(C)sc3n2)s1.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
The InChIKey is ZEYRSKMMPPZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S3/c1-5-6(2)19-11-9(5)10(13)14-8(15-11)4-18-12-17-16-7(3)20-12/h4H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine has a molecular weight of 342.90 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 60875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).