2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C9H9ClFN5S — CID 66936338

IUPAC2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NCc2ccsc2)c1F
InChIInChI=1S/C9H9ClFN5S/c10-9-14-7(6(11)8(15-9)16-12)13-3-5-1-2-17-4-5/h1-2,4H,3,12H2,(H2,13,14,15,16)
InChIKeySSTVQCHKNJULGV-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66936338) has the molecular formula C9H9ClFN5S and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID66936338
Molecular FormulaC9H9ClFN5S
Molecular Weight273.72 g/mol
Exact Mass273.03
IUPAC Name2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NCc2ccsc2)c1F
InChIInChI=1S/C9H9ClFN5S/c10-9-14-7(6(11)8(15-9)16-12)13-3-5-1-2-17-4-5/h1-2,4H,3,12H2,(H2,13,14,15,16)
InChIKeySSTVQCHKNJULGV-UHFFFAOYSA-N
XLogP2.23
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.23
H-Bond Donors ≤ 53
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-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 66936338) is 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is NNc1nc(Cl)nc(NCc2ccsc2)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is SSTVQCHKNJULGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5S/c10-9-14-7(6(11)8(15-9)16-12)13-3-5-1-2-17-4-5/h1-2,4H,3,12H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 273.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66936338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).