N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C13H20N6OS — CID 103335611

IUPACN-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)CCNc1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H20N6OS/c1-3-8-7-9-11(16-6-5-10(20)15-4-2)17-13(19-14)18-12(9)21-8/h7H,3-6,14H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeySKIRWANCQMMCLL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.48
Rot. Bonds7

About N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 103335611) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID103335611
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)CCNc1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H20N6OS/c1-3-8-7-9-11(16-6-5-10(20)15-4-2)17-13(19-14)18-12(9)21-8/h7H,3-6,14H2,1-2H3,(H,15,20)(H2,16,17,18,19)
InChIKeySKIRWANCQMMCLL-UHFFFAOYSA-N
XLogP1.48
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 103332914
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-N-(furan-3-ylmethyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335794

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 103335611) is N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is CCNC(=O)CCNc1nc(NN)nc2sc(CC)cc12.
What is the InChIKey of N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is SKIRWANCQMMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-8-7-9-11(16-6-5-10(20)15-4-2)17-13(19-14)18-12(9)21-8/h7H,3-6,14H2,1-2H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 308.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 103335611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).