2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H20N6OS2 — CID 56521339

IUPAC2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H20N6OS2/c1-7-10(4)25-15-12(7)14(17)19-16(20-15)24-6-11(23)18-13-8(2)21-22(5)9(13)3/h6H2,1-5H3,(H,18,23)(H2,17,19,20)
InChIKeyGTXFYBLGVIPHIF-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 56521339) has the molecular formula C16H20N6OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID56521339
Molecular FormulaC16H20N6OS2
Molecular Weight376.51 g/mol
Exact Mass376.11
IUPAC Name2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H20N6OS2/c1-7-10(4)25-15-12(7)14(17)19-16(20-15)24-6-11(23)18-13-8(2)21-22(5)9(13)3/h6H2,1-5H3,(H,18,23)(H2,17,19,20)
InChIKeyGTXFYBLGVIPHIF-UHFFFAOYSA-N
XLogP2.97
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43058571
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46572885
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 46572910
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 39049485
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 46572856
5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 650599
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 46572939
N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55571113
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(benzylcarbamoyl)acetamide
CID 55572015
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 46572917

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 56521339) is 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GTXFYBLGVIPHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS2/c1-7-10(4)25-15-12(7)14(17)19-16(20-15)24-6-11(23)18-13-8(2)21-22(5)9(13)3/h6H2,1-5H3,(H,18,23)(H2,17,19,20).
What are the key properties of 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 376.51 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56521339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).