6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

C14H13N3S2 — CID 103334621

IUPAC6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(Sc2nc(N)nc3sc(C)cc23)c1
InChIInChI=1S/C14H13N3S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h3-7H,1-2H3,(H2,15,16,17)
InChIKeySZHRANPJMMHFAF-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.04
Rot. Bonds2

About 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine

6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334621) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334621
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(Sc2nc(N)nc3sc(C)cc23)c1
InChIInChI=1S/C14H13N3S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h3-7H,1-2H3,(H2,15,16,17)
InChIKeySZHRANPJMMHFAF-UHFFFAOYSA-N
XLogP4.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine 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

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334004
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
5-(3-methylphenyl)sulfanylpyrazin-2-amine
CID 80664435

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine (CID 103334621) is 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is Cc1cccc(Sc2nc(N)nc3sc(C)cc23)c1.
What is the InChIKey of 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is SZHRANPJMMHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-8-4-3-5-10(6-8)19-13-11-7-9(2)18-12(11)16-14(15)17-13/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).