4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4S2 — CID 103330019

IUPAC4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)CSC)c2ccsc2n1
InChIInChI=1S/C13H20N4S2/c1-4-6-14-13-16-11(15-9(2)8-18-3)10-5-7-19-12(10)17-13/h5,7,9H,4,6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeySHBGIWCHTHAMEX-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.68
Rot. Bonds7

About 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330019) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330019
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)CSC)c2ccsc2n1
InChIInChI=1S/C13H20N4S2/c1-4-6-14-13-16-11(15-9(2)8-18-3)10-5-7-19-12(10)17-13/h5,7,9H,4,6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeySHBGIWCHTHAMEX-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[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-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328260
N,N-dimethyl-2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103325902
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
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-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
4-methyl-1-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 107159683
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330019) is 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)CSC)c2ccsc2n1.
What is the InChIKey of 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SHBGIWCHTHAMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-6-14-13-16-11(15-9(2)8-18-3)10-5-7-19-12(10)17-13/h5,7,9H,4,6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).