4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C11H16N4S2 — CID 112750530

IUPAC4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4S2/c1-3-7(6-16-2)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKSAGCOQZLUNVIS-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.83
Rot. Bonds5

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

4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 112750530) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID112750530
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4S2/c1-3-7(6-16-2)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKSAGCOQZLUNVIS-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-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

(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750443
4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 121402886
(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
CID 158505889
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256416
2-N-(2-chloro-4-methoxyphenyl)-2-N-methyl-4-N-pentan-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 90983176
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 112750530) is 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CCC(CSC)Nc1nc(N)nc2ccsc12.
What is the InChIKey of 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is KSAGCOQZLUNVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-3-7(6-16-2)13-10-9-8(4-5-17-9)14-11(12)15-10/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 268.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 112750530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).