6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C12H15N7OS — CID 106412380

IUPAC6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3noc(C)n3)nc(NN)nc2s1
InChIInChI=1S/C12H15N7OS/c1-3-7-4-8-10(14-5-9-15-6(2)20-19-9)16-12(18-13)17-11(8)21-7/h4H,3,5,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyAGRZXGIBQUOUPW-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.84
Rot. Bonds5

About 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106412380) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID106412380
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3noc(C)n3)nc(NN)nc2s1
InChIInChI=1S/C12H15N7OS/c1-3-7-4-8-10(14-5-9-15-6(2)20-19-9)16-12(18-13)17-11(8)21-7/h4H,3,5,13H2,1-2H3,(H2,14,16,17,18)
InChIKeyAGRZXGIBQUOUPW-UHFFFAOYSA-N
XLogP1.84
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333186
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
6-ethyl-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332853
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
6-ethyl-N-(furan-3-ylmethyl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335794
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
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103335521
N-ethyl-3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103335611

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 106412380) is 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3noc(C)n3)nc(NN)nc2s1.
What is the InChIKey of 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AGRZXGIBQUOUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c1-3-7-4-8-10(14-5-9-15-6(2)20-19-9)16-12(18-13)17-11(8)21-7/h4H,3,5,13H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106412380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).