5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine

C12H14FN5O3S — CID 122258680

IUPAC5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H14FN5O3S/c13-9-4-15-12(16-5-9)21-10-2-1-3-18(7-10)22(19,20)11-6-14-8-17-11/h4-6,8,10H,1-3,7H2,(H,14,17)
InChIKeyPLMRPPZVEIOIOT-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.57
Rot. Bonds4

About 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine

5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine (PubChem CID 122258680) has the molecular formula C12H14FN5O3S and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine
PubChem CID122258680
Molecular FormulaC12H14FN5O3S
Molecular Weight327.34 g/mol
Exact Mass327.08
IUPAC Name5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H14FN5O3S/c13-9-4-15-12(16-5-9)21-10-2-1-3-18(7-10)22(19,20)11-6-14-8-17-11/h4-6,8,10H,1-3,7H2,(H,14,17)
InChIKeyPLMRPPZVEIOIOT-UHFFFAOYSA-N
XLogP0.57
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine (CID 122258680) is 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine is O=S(=O)(c1cnc[nH]1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine?
The InChIKey is PLMRPPZVEIOIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O3S/c13-9-4-15-12(16-5-9)21-10-2-1-3-18(7-10)22(19,20)11-6-14-8-17-11/h4-6,8,10H,1-3,7H2,(H,14,17).
What are the key properties of 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine?
5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine has a molecular weight of 327.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122258680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).