2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

C8H8ClFN6S — CID 86637027

IUPAC2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NCc2cscn2)c1F
InChIInChI=1S/C8H8ClFN6S/c9-8-14-6(5(10)7(15-8)16-11)12-1-4-2-17-3-13-4/h2-3H,1,11H2,(H2,12,14,15,16)
InChIKeyYVHQBARJNXPNDF-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.62
Rot. Bonds4

About 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 86637027) has the molecular formula C8H8ClFN6S and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID86637027
Molecular FormulaC8H8ClFN6S
Molecular Weight274.71 g/mol
Exact Mass274.02
IUPAC Name2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESNNc1nc(Cl)nc(NCc2cscn2)c1F
InChIInChI=1S/C8H8ClFN6S/c9-8-14-6(5(10)7(15-8)16-11)12-1-4-2-17-3-13-4/h2-3H,1,11H2,(H2,12,14,15,16)
InChIKeyYVHQBARJNXPNDF-UHFFFAOYSA-N
XLogP1.62
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.62
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 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 86637027) is 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is NNc1nc(Cl)nc(NCc2cscn2)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YVHQBARJNXPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN6S/c9-8-14-6(5(10)7(15-8)16-11)12-1-4-2-17-3-13-4/h2-3H,1,11H2,(H2,12,14,15,16).
What are the key properties of 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 274.71 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-hydrazinyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86637027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).