2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4O2S2 — CID 103328336

IUPAC2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CS(C)(=O)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4O2S2/c1-5-14-13-16-11(15-8(2)7-21(4,18)19)10-6-9(3)20-12(10)17-13/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeySBIBXFVLFVGEJX-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.28
Rot. Bonds6

About 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328336) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328336
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CS(C)(=O)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4O2S2/c1-5-14-13-16-11(15-8(2)7-21(4,18)19)10-6-9(3)20-12(10)17-13/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeySBIBXFVLFVGEJX-UHFFFAOYSA-N
XLogP2.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine 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-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330541
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330173
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328336) is 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC(C)CS(C)(=O)=O)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SBIBXFVLFVGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-5-14-13-16-11(15-8(2)7-21(4,18)19)10-6-9(3)20-12(10)17-13/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).