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

C9H11FN6S2 — CID 80882527

IUPAC5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H11FN6S2/c1-11-7-12-4-5(10)6(13-7)17-9-15-14-8(18-9)16(2)3/h4H,1-3H3,(H,11,12,13)
InChIKeyWMMYQYHNPPYJIR-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.73
Rot. Bonds4

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

5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80882527) has the molecular formula C9H11FN6S2 and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80882527
Molecular FormulaC9H11FN6S2
Molecular Weight286.36 g/mol
Exact Mass286.05
IUPAC Name5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H11FN6S2/c1-11-7-12-4-5(10)6(13-7)17-9-15-14-8(18-9)16(2)3/h4H,1-3H3,(H,11,12,13)
InChIKeyWMMYQYHNPPYJIR-UHFFFAOYSA-N
XLogP1.73
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-fluoro-N~4~,N~4~-dimethyl-N~2~-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 72917250
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
CID 79075595
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 79076628
2-Chloro-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79076832
2-Chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79076835
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,2,4-thiadiazole
CID 80426536
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 80426679
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
CID 80426829
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80869109
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882418

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80882527) is 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CNc1ncc(F)c(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WMMYQYHNPPYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6S2/c1-11-7-12-4-5(10)6(13-7)17-9-15-14-8(18-9)16(2)3/h4H,1-3H3,(H,11,12,13).
What are the key properties of 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80882527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).