5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine

C10H14FN3O2S — CID 97165085

IUPAC5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine
SMILESO=S(=O)(C[C@@H]1CCCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2/t8-/m1/s1
InChIKeyVMRKBIHUMYLFCG-MRVPVSSYSA-N
MW259.31 g/mol
LogP0.39
Rot. Bonds3

About 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine

5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine (PubChem CID 97165085) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine
PubChem CID97165085
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine
SMILESO=S(=O)(C[C@@H]1CCCNC1)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2/t8-/m1/s1
InChIKeyVMRKBIHUMYLFCG-MRVPVSSYSA-N
XLogP0.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(1,1-dioxothian-4-yl)methyl]pyrimidin-2-amine
CID 75432973
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N,N-dimethyl-5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99950077
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 100655032
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
CID 134534761
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
CID 134534762
2-(1-Ethylsulfonylpiperidin-3-yl)-5-fluoropyrimidine
CID 140304877
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methylpiperidine-3-sulfonamide
CID 149033370
[5-(Trifluoromethyl)pyrimidin-2-yl] piperidin-4-ylmethanesulfonate
CID 151654020
5-Fluoro-4-methylsulfonyl-2-piperidin-1-ylpyrimidine
CID 169090064
N-(1,1-dioxothian-4-yl)-2-methylsulfinyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 178820015

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine?
The IUPAC name of 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine (CID 97165085) is 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine is O=S(=O)(C[C@@H]1CCCNC1)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine?
The InChIKey is VMRKBIHUMYLFCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c11-9-5-13-10(14-6-9)17(15,16)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2/t8-/m1/s1.
What are the key properties of 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine?
5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine has a molecular weight of 259.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyrimidine is sourced from PubChem (CID 97165085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).