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

C9H11FN6S2 — CID 86637014

IUPAC5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H11FN6S2/c1-17-9-14-7(6(10)8(15-9)16-11)13-4-5-12-2-3-18-5/h2-3H,4,11H2,1H3,(H2,13,14,15,16)
InChIKeyZGWVRLQOKRYPQV-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.69
Rot. Bonds5

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

5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 86637014) has the molecular formula C9H11FN6S2 and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID86637014
Molecular FormulaC9H11FN6S2
Molecular Weight286.36 g/mol
Exact Mass286.05
IUPAC Name5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)c(F)c(NCc2nccs2)n1
InChIInChI=1S/C9H11FN6S2/c1-17-9-14-7(6(10)8(15-9)16-11)13-4-5-12-2-3-18-5/h2-3H,4,11H2,1H3,(H2,13,14,15,16)
InChIKeyZGWVRLQOKRYPQV-UHFFFAOYSA-N
XLogP1.69
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
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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Related Compounds

5-Fluoro-4-hydrazino-2-methyl-6-[(1,3-thiazol-2-ylmethyl)amino]pyrimidine
CID 66935899
2-chloro-5-fluoro-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 66936123
5-fluoro-6-hydrazino-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 66936247
2-chloro-5-fluoro-6-hydrazino-N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637003
6-chloro-5-fluoro-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637012
6-chloro-5-fluoro-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637013
2-chloro-5-fluoro-6-[(1,3-thiazol-4-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 86637027
2-chloro-5-fluoro-6-hydrazino-N-(4-methyl-1-piperazinyl)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637032
6-N-(4,4-difluorocyclohexyl)-2-(2-methylhydrazinyl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 132207774
5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 141304002
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72940191
2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075576

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 86637014) is 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CSc1nc(NN)c(F)c(NCc2nccs2)n1.
What is the InChIKey of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZGWVRLQOKRYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6S2/c1-17-9-14-7(6(10)8(15-9)16-11)13-4-5-12-2-3-18-5/h2-3H,4,11H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydrazinyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86637014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).