[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C10H11F3N4S — CID 79964166

IUPAC[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1cc2c(NN)nc(CCC(F)(F)F)nc2s1
InChIInChI=1S/C10H11F3N4S/c1-5-4-6-8(17-14)15-7(16-9(6)18-5)2-3-10(11,12)13/h4H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyJOIXKPARDGICNO-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.78
Rot. Bonds3

About [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 79964166) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID79964166
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCc1cc2c(NN)nc(CCC(F)(F)F)nc2s1
InChIInChI=1S/C10H11F3N4S/c1-5-4-6-8(17-14)15-7(16-9(6)18-5)2-3-10(11,12)13/h4H,2-3,14H2,1H3,(H,15,16,17)
InChIKeyJOIXKPARDGICNO-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 79964166) is [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is Cc1cc2c(NN)nc(CCC(F)(F)F)nc2s1.
What is the InChIKey of [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is JOIXKPARDGICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-5-4-6-8(17-14)15-7(16-9(6)18-5)2-3-10(11,12)13/h4H,2-3,14H2,1H3,(H,15,16,17).
What are the key properties of [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 276.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79964166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).