2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

C7H5ClFN5S — CID 131219600

IUPAC2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1cnns1
InChIInChI=1S/C7H5ClFN5S/c8-7-11-3-5(9)6(13-7)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13)
InChIKeyORNQVYFKEDBFPV-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.73
Rot. Bonds3

About 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 131219600) has the molecular formula C7H5ClFN5S and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID131219600
Molecular FormulaC7H5ClFN5S
Molecular Weight245.67 g/mol
Exact Mass244.99
IUPAC Name2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1cnns1
InChIInChI=1S/C7H5ClFN5S/c8-7-11-3-5(9)6(13-7)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13)
InChIKeyORNQVYFKEDBFPV-UHFFFAOYSA-N
XLogP1.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine (CID 131219600) is 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1cnns1.
What is the InChIKey of 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is ORNQVYFKEDBFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN5S/c8-7-11-3-5(9)6(13-7)10-1-4-2-12-14-15-4/h2-3H,1H2,(H,10,11,13).
What are the key properties of 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 245.67 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(thiadiazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 131219600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).