2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine

C11H10ClFN4O2S — CID 150854643

IUPAC2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine
SMILESCC(Cl)(CS(=O)(=O)c1ncccn1)c1ncc(F)cn1
InChIInChI=1S/C11H10ClFN4O2S/c1-11(12,9-16-5-8(13)6-17-9)7-20(18,19)10-14-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyKQTFVJAACWQMPK-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.33
Rot. Bonds4

About 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine

2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine (PubChem CID 150854643) has the molecular formula C11H10ClFN4O2S and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine
PubChem CID150854643
Molecular FormulaC11H10ClFN4O2S
Molecular Weight316.75 g/mol
Exact Mass316.02
IUPAC Name2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine
SMILESCC(Cl)(CS(=O)(=O)c1ncccn1)c1ncc(F)cn1
InChIInChI=1S/C11H10ClFN4O2S/c1-11(12,9-16-5-8(13)6-17-9)7-20(18,19)10-14-3-2-4-15-10/h2-6H,7H2,1H3
InChIKeyKQTFVJAACWQMPK-UHFFFAOYSA-N
XLogP1.33
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-pyrimidin-2-ylsulfonylbutan-2-yl)-5-fluoropyrimidine
CID 122701962
2-(2-chloro-3-pyrimidin-2-ylsulfonylbutan-2-yl)-5-fluoropyrimidine;(E)-3-(5-fluoropyrimidin-2-yl)but-2-ene-2-sulfonamide
CID 160542087
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
CID 163656724
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol
CID 126553351
(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
CID 134541723
1-chloro-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanethiol
CID 166704263
2-tert-butyl-5-fluoropyrimidine
CID 22958265
2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
CID 134097933
2-tert-butyl-5-fluoropyrimidine;2-tert-butylpyrimidine;2-tert-butyltriazole
CID 165041459
tert-butyl-dimethyl-(2-pyrimidin-2-ylsulfonylethoxy)silane
CID 22964757
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine
CID 175122624

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine (CID 150854643) is 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine is CC(Cl)(CS(=O)(=O)c1ncccn1)c1ncc(F)cn1.
What is the InChIKey of 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine?
The InChIKey is KQTFVJAACWQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2S/c1-11(12,9-16-5-8(13)6-17-9)7-20(18,19)10-14-3-2-4-15-10/h2-6H,7H2,1H3.
What are the key properties of 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine?
2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine has a molecular weight of 316.75 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1-pyrimidin-2-ylsulfonylpropan-2-yl)-5-fluoropyrimidine is sourced from PubChem (CID 150854643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).