4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine

C10H15FN4O2S — CID 80789411

IUPAC4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H15FN4O2S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyGRRNZKZAZOHXAS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.28
Rot. Bonds3

About 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine

4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80789411) has the molecular formula C10H15FN4O2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80789411
Molecular FormulaC10H15FN4O2S
Molecular Weight274.32 g/mol
Exact Mass274.09
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H15FN4O2S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyGRRNZKZAZOHXAS-UHFFFAOYSA-N
XLogP0.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564216
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62284182
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 63874579
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
2-N-(2,4-difluorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 112896147
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-fluorophenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112955136
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
5-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carbonitrile
CID 84608768
4-[(1,1-dioxothiolan-3-yl)-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136970865

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80789411) is 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is GRRNZKZAZOHXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2S/c1-12-10-13-5-8(11)9(14-10)15(2)7-3-4-18(16,17)6-7/h5,7H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).