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

C15H24N4S2 — CID 103329656

IUPAC4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C(CC)CSC)c2ccsc2n1
InChIInChI=1S/C15H24N4S2/c1-5-8-16-15-17-13(12-7-9-21-14(12)18-15)19(3)11(6-2)10-20-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17,18)
InChIKeyQGXNQMUGMVRHIV-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.09
Rot. Bonds8

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

4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329656) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329656
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C(CC)CSC)c2ccsc2n1
InChIInChI=1S/C15H24N4S2/c1-5-8-16-15-17-13(12-7-9-21-14(12)18-15)19(3)11(6-2)10-20-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17,18)
InChIKeyQGXNQMUGMVRHIV-UHFFFAOYSA-N
XLogP4.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
4-N-(1-methylsulfanylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330019
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
CID 103326435
2-N,4-N,4-N-trimethyl-2-N-(1-methylsulfanylbutan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 115988791
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103329656) is 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N(C)C(CC)CSC)c2ccsc2n1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QGXNQMUGMVRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-5-8-16-15-17-13(12-7-9-21-14(12)18-15)19(3)11(6-2)10-20-4/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 324.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).