5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

C8H8FN5S2 — CID 80885813

IUPAC5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H8FN5S2/c1-4-13-14-8(15-4)16-6-5(9)3-11-7(10-2)12-6/h3H,1-2H3,(H,10,11,12)
InChIKeySVEWPMBJWXCNGB-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.97
Rot. Bonds3

About 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80885813) has the molecular formula C8H8FN5S2 and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80885813
Molecular FormulaC8H8FN5S2
Molecular Weight257.32 g/mol
Exact Mass257.02
IUPAC Name5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H8FN5S2/c1-4-13-14-8(15-4)16-6-5(9)3-11-7(10-2)12-6/h3H,1-2H3,(H,10,11,12)
InChIKeySVEWPMBJWXCNGB-UHFFFAOYSA-N
XLogP1.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 80885813) is 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is CNc1ncc(F)c(Sc2nnc(C)s2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is SVEWPMBJWXCNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5S2/c1-4-13-14-8(15-4)16-6-5(9)3-11-7(10-2)12-6/h3H,1-2H3,(H,10,11,12).
What are the key properties of 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80885813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).