2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine

C10H12F3N5S — CID 103334358

IUPAC2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1nc(NN)nc2sccc12
InChIInChI=1S/C10H12F3N5S/c1-18(4-3-10(11,12)13)7-6-2-5-19-8(6)16-9(15-7)17-14/h2,5H,3-4,14H2,1H3,(H,15,16,17)
InChIKeyCOJMBPOQZBGOOI-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.37
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334358) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103334358
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCN(CCC(F)(F)F)c1nc(NN)nc2sccc12
InChIInChI=1S/C10H12F3N5S/c1-18(4-3-10(11,12)13)7-6-2-5-19-8(6)16-9(15-7)17-14/h2,5H,3-4,14H2,1H3,(H,15,16,17)
InChIKeyCOJMBPOQZBGOOI-UHFFFAOYSA-N
XLogP2.37
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103334358) is 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine is CN(CCC(F)(F)F)c1nc(NN)nc2sccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is COJMBPOQZBGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-18(4-3-10(11,12)13)7-6-2-5-19-8(6)16-9(15-7)17-14/h2,5H,3-4,14H2,1H3,(H,15,16,17).
What are the key properties of 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).