2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H22N6S — CID 103335521

IUPAC2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1cc2c(NC(C)CN(C)C)nc(NN)nc2s1
InChIInChI=1S/C13H22N6S/c1-5-9-6-10-11(15-8(2)7-19(3)4)16-13(18-14)17-12(10)20-9/h6,8H,5,7,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyWJVZXFYDWOVBRL-UHFFFAOYSA-N
MW294.43 g/mol
LogP1.90
Rot. Bonds6

About 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103335521) has the molecular formula C13H22N6S and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103335521
Molecular FormulaC13H22N6S
Molecular Weight294.43 g/mol
Exact Mass294.16
IUPAC Name2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1cc2c(NC(C)CN(C)C)nc(NN)nc2s1
InChIInChI=1S/C13H22N6S/c1-5-9-6-10-11(15-8(2)7-19(3)4)16-13(18-14)17-12(10)20-9/h6,8H,5,7,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyWJVZXFYDWOVBRL-UHFFFAOYSA-N
XLogP1.90
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335739
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
6-ethyl-2-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333941
4-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
N-(2,2-difluoroethyl)-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335769
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 103335521) is 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CCc1cc2c(NC(C)CN(C)C)nc(NN)nc2s1.
What is the InChIKey of 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WJVZXFYDWOVBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6S/c1-5-9-6-10-11(15-8(2)7-19(3)4)16-13(18-14)17-12(10)20-9/h6,8H,5,7,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 294.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103335521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).