6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine

C13H16N6S2 — CID 103333877

IUPAC6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Sc2nncn2C)c2cc(C)sc2n1
InChIInChI=1S/C13H16N6S2/c1-4-5-14-12-16-10-9(6-8(2)20-10)11(17-12)21-13-18-15-7-19(13)3/h6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyRUSGIMDEEBRAGC-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.10
Rot. Bonds5

About 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine

6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333877) has the molecular formula C13H16N6S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333877
Molecular FormulaC13H16N6S2
Molecular Weight320.45 g/mol
Exact Mass320.09
IUPAC Name6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Sc2nncn2C)c2cc(C)sc2n1
InChIInChI=1S/C13H16N6S2/c1-4-5-14-12-16-10-9(6-8(2)20-10)11(17-12)21-13-18-15-7-19(13)3/h6-7H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyRUSGIMDEEBRAGC-UHFFFAOYSA-N
XLogP3.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882353
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
3-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335156
6-methyl-N-propyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334996
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882882
4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324544
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103333877) is 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(Sc2nncn2C)c2cc(C)sc2n1.
What is the InChIKey of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is RUSGIMDEEBRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S2/c1-4-5-14-12-16-10-9(6-8(2)20-10)11(17-12)21-13-18-15-7-19(13)3/h6-7H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 320.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).