2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4S2 — CID 103330541

IUPAC2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CCSCC)c2cc(C)sc2n1
InChIInChI=1S/C15H24N4S2/c1-5-16-15-18-13(17-10(3)7-8-20-6-2)12-9-11(4)21-14(12)19-15/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyLMQOSGVIAYASOY-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.38
Rot. Bonds8

About 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330541) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330541
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)CCSCC)c2cc(C)sc2n1
InChIInChI=1S/C15H24N4S2/c1-5-16-15-18-13(17-10(3)7-8-20-6-2)12-9-11(4)21-14(12)19-15/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyLMQOSGVIAYASOY-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328336
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
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
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
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
4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330541) is 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC(C)CCSCC)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LMQOSGVIAYASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-5-16-15-18-13(17-10(3)7-8-20-6-2)12-9-11(4)21-14(12)19-15/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 324.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).