4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one

C13H18N6OS — CID 103333694

IUPAC4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
SMILESCCc1cc2c(N3CCNC(=O)C3C)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-3-8-6-9-10(16-13(18-14)17-12(9)21-8)19-5-4-15-11(20)7(19)2/h6-7H,3-5,14H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyJXISFMOEFJNQIW-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.86
Rot. Bonds3

About 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one

4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one (PubChem CID 103333694) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
PubChem CID103333694
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
SMILESCCc1cc2c(N3CCNC(=O)C3C)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-3-8-6-9-10(16-13(18-14)17-12(9)21-8)19-5-4-15-11(20)7(19)2/h6-7H,3-5,14H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyJXISFMOEFJNQIW-UHFFFAOYSA-N
XLogP0.86
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.86
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one (CID 103333694) is 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one is CCc1cc2c(N3CCNC(=O)C3C)nc(NN)nc2s1.
What is the InChIKey of 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one?
The InChIKey is JXISFMOEFJNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-3-8-6-9-10(16-13(18-14)17-12(9)21-8)19-5-4-15-11(20)7(19)2/h6-7H,3-5,14H2,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one?
4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one has a molecular weight of 306.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one is sourced from PubChem (CID 103333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).