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

C9H11FN6S — CID 66935899

IUPAC5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H11FN6S/c1-5-14-8(7(10)9(15-5)16-11)13-4-6-12-2-3-17-6/h2-3H,4,11H2,1H3,(H2,13,14,15,16)
InChIKeyYSTAMJDEHSXEOC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.28
Rot. Bonds4

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

5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66935899) has the molecular formula C9H11FN6S and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID66935899
Molecular FormulaC9H11FN6S
Molecular Weight254.29 g/mol
Exact Mass254.07
IUPAC Name5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H11FN6S/c1-5-14-8(7(10)9(15-5)16-11)13-4-6-12-2-3-17-6/h2-3H,4,11H2,1H3,(H2,13,14,15,16)
InChIKeyYSTAMJDEHSXEOC-UHFFFAOYSA-N
XLogP1.28
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.28
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 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 66935899) is 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is Cc1nc(NN)c(F)c(NCc2nccs2)n1.
What is the InChIKey of 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YSTAMJDEHSXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6S/c1-5-14-8(7(10)9(15-5)16-11)13-4-6-12-2-3-17-6/h2-3H,4,11H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydrazinyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66935899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).