(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate

C10H15FN2O5S — CID 174728635

IUPAC(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate
SMILESCOc1nc(OC)c(C(C)C)c(OS(=O)(=O)CF)n1
InChIInChI=1S/C10H15FN2O5S/c1-6(2)7-8(16-3)12-10(17-4)13-9(7)18-19(14,15)5-11/h6H,5H2,1-4H3
InChIKeyQOCUDEPSYUSYOC-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.25
Rot. Bonds6

About (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate

(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate (PubChem CID 174728635) has the molecular formula C10H15FN2O5S and a molecular weight of 294.30 g/mol. Its IUPAC name is (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate.

Molecular Properties

Compound Name(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate
PubChem CID174728635
Molecular FormulaC10H15FN2O5S
Molecular Weight294.30 g/mol
Exact Mass294.07
IUPAC Name(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate
SMILESCOc1nc(OC)c(C(C)C)c(OS(=O)(=O)CF)n1
InChIInChI=1S/C10H15FN2O5S/c1-6(2)7-8(16-3)12-10(17-4)13-9(7)18-19(14,15)5-11/h6H,5H2,1-4H3
InChIKeyQOCUDEPSYUSYOC-UHFFFAOYSA-N
XLogP1.25
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-5,6-di(propan-2-yl)pyrimidine
CID 170361066
5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile
CID 59184754
trimethyl-(2,4,6-trimethoxypyrimidin-5-yl)silane
CID 14615104
ethane;2-methoxy-4,6-dimethyl-3-propan-2-ylpyridine
CID 171625416
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 122252753
2,4-dimethoxy-5,6-dimethylpyrimidine
CID 11378723
4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione
CID 160787609
4,6-dimethoxy-1,3,5-triazine-2-sulfonamide
CID 62860558
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122252856
2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine
CID 62860551
2-(4-chlorobutan-2-ylsulfanyl)-4,6-dimethoxy-1,3,5-triazine
CID 66138773

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate?
The IUPAC name of (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate (CID 174728635) is (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate.
What is the SMILES notation for (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate?
The canonical SMILES for (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate is COc1nc(OC)c(C(C)C)c(OS(=O)(=O)CF)n1.
What is the InChIKey of (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate?
The InChIKey is QOCUDEPSYUSYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5S/c1-6(2)7-8(16-3)12-10(17-4)13-9(7)18-19(14,15)5-11/h6H,5H2,1-4H3.
What are the key properties of (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate?
(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate has a molecular weight of 294.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) fluoromethanesulfonate is sourced from PubChem (CID 174728635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).