[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C9H9F3N4OS — CID 103336356

IUPAC[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCC(Oc1nc(NN)nc2sccc12)C(F)(F)F
InChIInChI=1S/C9H9F3N4OS/c1-4(9(10,11)12)17-6-5-2-3-18-7(5)15-8(14-6)16-13/h2-4H,13H2,1H3,(H,14,15,16)
InChIKeyCPKKQXODFQNKGR-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.31
Rot. Bonds3

About [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336356) has the molecular formula C9H9F3N4OS and a molecular weight of 278.26 g/mol. Its IUPAC name is [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336356
Molecular FormulaC9H9F3N4OS
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC Name[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCC(Oc1nc(NN)nc2sccc12)C(F)(F)F
InChIInChI=1S/C9H9F3N4OS/c1-4(9(10,11)12)17-6-5-2-3-18-7(5)15-8(14-6)16-13/h2-4H,13H2,1H3,(H,14,15,16)
InChIKeyCPKKQXODFQNKGR-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.31
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

[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
[4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336205
[5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80922585
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336141
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 106795448
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336249
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655

Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336356) is [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is CC(Oc1nc(NN)nc2sccc12)C(F)(F)F.
What is the InChIKey of [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is CPKKQXODFQNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4OS/c1-4(9(10,11)12)17-6-5-2-3-18-7(5)15-8(14-6)16-13/h2-4H,13H2,1H3,(H,14,15,16).
What are the key properties of [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 278.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).