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

C15H24N4S2 — CID 103330552

IUPAC6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)C(C)CCSC)nc(NC)nc2s1
InChIInChI=1S/C15H24N4S2/c1-6-11-9-12-13(19(4)10(2)7-8-20-5)17-15(16-3)18-14(12)21-11/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyXZFIMGDFGVLOPV-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.87
Rot. Bonds7

About 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330552) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330552
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)C(C)CCSC)nc(NC)nc2s1
InChIInChI=1S/C15H24N4S2/c1-6-11-9-12-13(19(4)10(2)7-8-20-5)17-15(16-3)18-14(12)21-11/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyXZFIMGDFGVLOPV-UHFFFAOYSA-N
XLogP3.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329665
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
6-ethyl-2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 103326409
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
6-ethyl-2-N,4-N-dimethyl-4-N-(oxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329429

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330552) is 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(N(C)C(C)CCSC)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XZFIMGDFGVLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-6-11-9-12-13(19(4)10(2)7-8-20-5)17-15(16-3)18-14(12)21-11/h9-10H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 324.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).