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

C10H13FN6S2 — CID 66936247

IUPAC5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)c(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H13FN6S2/c1-17(5-6-13-3-4-19-6)9-7(11)8(16-12)14-10(15-9)18-2/h3-4H,5,12H2,1-2H3,(H,14,15,16)
InChIKeyAPNQPJKCOTVITO-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.72
Rot. Bonds5

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

5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66936247) has the molecular formula C10H13FN6S2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID66936247
Molecular FormulaC10H13FN6S2
Molecular Weight300.39 g/mol
Exact Mass300.06
IUPAC Name5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)c(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H13FN6S2/c1-17(5-6-13-3-4-19-6)9-7(11)8(16-12)14-10(15-9)18-2/h3-4H,5,12H2,1-2H3,(H,14,15,16)
InChIKeyAPNQPJKCOTVITO-UHFFFAOYSA-N
XLogP1.72
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 66936247) is 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CSc1nc(NN)c(F)c(N(C)Cc2nccs2)n1.
What is the InChIKey of 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is APNQPJKCOTVITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6S2/c1-17(5-6-13-3-4-19-6)9-7(11)8(16-12)14-10(15-9)18-2/h3-4H,5,12H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66936247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).