4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C12H18N4O2S2 — CID 103325366

IUPAC4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCS(C)(=O)=O)c2ccsc2n1
InChIInChI=1S/C12H18N4O2S2/c1-3-5-14-12-15-10(13-6-8-20(2,17)18)9-4-7-19-11(9)16-12/h4,7H,3,5-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJZNKPDIBMJWTNS-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.97
Rot. Bonds7

About 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325366) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325366
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCS(C)(=O)=O)c2ccsc2n1
InChIInChI=1S/C12H18N4O2S2/c1-3-5-14-12-15-10(13-6-8-20(2,17)18)9-4-7-19-11(9)16-12/h4,7H,3,5-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJZNKPDIBMJWTNS-UHFFFAOYSA-N
XLogP1.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343363
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325366) is 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NCCS(C)(=O)=O)c2ccsc2n1.
What is the InChIKey of 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JZNKPDIBMJWTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-5-14-12-15-10(13-6-8-20(2,17)18)9-4-7-19-11(9)16-12/h4,7H,3,5-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 314.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).