N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

C15H17N5S — CID 103334130

IUPACN-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(NN)nc2sccc12
InChIInChI=1S/C15H17N5S/c1-2-20(10-11-6-4-3-5-7-11)13-12-8-9-21-14(12)18-15(17-13)19-16/h3-9H,2,10,16H2,1H3,(H,17,18,19)
InChIKeyUXAORXDPDZUBNG-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.00
Rot. Bonds5

About N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334130) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334130
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(NN)nc2sccc12
InChIInChI=1S/C15H17N5S/c1-2-20(10-11-6-4-3-5-7-11)13-12-8-9-21-14(12)18-15(17-13)19-16/h3-9H,2,10,16H2,1H3,(H,17,18,19)
InChIKeyUXAORXDPDZUBNG-UHFFFAOYSA-N
XLogP3.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-ethyl-2-hydrazinyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 103333918
2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 103332682
N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332546
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332540
2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103332950
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
2-hydrazinyl-N-(2-methoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333298
3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 46989209
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 103334130) is N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is CCN(Cc1ccccc1)c1nc(NN)nc2sccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UXAORXDPDZUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-20(10-11-6-4-3-5-7-11)13-12-8-9-21-14(12)18-15(17-13)19-16/h3-9H,2,10,16H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).