5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine

C7H6FN5S — CID 130927644

IUPAC5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cnns2)nc1
InChIInChI=1S/C7H6FN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyCLFNFHLWCLZXDD-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.08
Rot. Bonds3

About 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine

5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 130927644) has the molecular formula C7H6FN5S and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID130927644
Molecular FormulaC7H6FN5S
Molecular Weight211.23 g/mol
Exact Mass211.03
IUPAC Name5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine
SMILESFc1cnc(NCc2cnns2)nc1
InChIInChI=1S/C7H6FN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11)
InChIKeyCLFNFHLWCLZXDD-UHFFFAOYSA-N
XLogP1.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine (CID 130927644) is 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine is Fc1cnc(NCc2cnns2)nc1.
What is the InChIKey of 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is CLFNFHLWCLZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5S/c8-5-1-9-7(10-2-5)11-3-6-4-12-13-14-6/h1-2,4H,3H2,(H,9,10,11).
What are the key properties of 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine?
5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 211.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 130927644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).