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

C9H10ClFN6S — CID 86637003

IUPAC2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1nccs1)c1nc(Cl)nc(NN)c1F
InChIInChI=1S/C9H10ClFN6S/c1-17(4-5-13-2-3-18-5)8-6(11)7(16-12)14-9(10)15-8/h2-3H,4,12H2,1H3,(H,14,15,16)
InChIKeyRYWSWRGNJQZARB-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.65
Rot. Bonds4

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

2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 86637003) has the molecular formula C9H10ClFN6S and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID86637003
Molecular FormulaC9H10ClFN6S
Molecular Weight288.74 g/mol
Exact Mass288.04
IUPAC Name2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1nccs1)c1nc(Cl)nc(NN)c1F
InChIInChI=1S/C9H10ClFN6S/c1-17(4-5-13-2-3-18-5)8-6(11)7(16-12)14-9(10)15-8/h2-3H,4,12H2,1H3,(H,14,15,16)
InChIKeyRYWSWRGNJQZARB-UHFFFAOYSA-N
XLogP1.65
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 86637003) is 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CN(Cc1nccs1)c1nc(Cl)nc(NN)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is RYWSWRGNJQZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN6S/c1-17(4-5-13-2-3-18-5)8-6(11)7(16-12)14-9(10)15-8/h2-3H,4,12H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-hydrazinyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86637003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).