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

C12H16N6OS — CID 103335700

IUPACN-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESNNc1nc(NCCNC(=O)C2CC2)c2ccsc2n1
InChIInChI=1S/C12H16N6OS/c13-18-12-16-9(8-3-6-20-11(8)17-12)14-4-5-15-10(19)7-1-2-7/h3,6-7H,1-2,4-5,13H2,(H,15,19)(H2,14,16,17,18)
InChIKeyJPEVFKDSINFBDI-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.92
Rot. Bonds6

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

N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 103335700) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID103335700
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESNNc1nc(NCCNC(=O)C2CC2)c2ccsc2n1
InChIInChI=1S/C12H16N6OS/c13-18-12-16-9(8-3-6-20-11(8)17-12)14-4-5-15-10(19)7-1-2-7/h3,6-7H,1-2,4-5,13H2,(H,15,19)(H2,14,16,17,18)
InChIKeyJPEVFKDSINFBDI-UHFFFAOYSA-N
XLogP0.92
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 103335700) is N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is NNc1nc(NCCNC(=O)C2CC2)c2ccsc2n1.
What is the InChIKey of N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is JPEVFKDSINFBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c13-18-12-16-9(8-3-6-20-11(8)17-12)14-4-5-15-10(19)7-1-2-7/h3,6-7H,1-2,4-5,13H2,(H,15,19)(H2,14,16,17,18).
What are the key properties of N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 292.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 103335700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).