5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide

C10H12F2N4O — CID 169090066

IUPAC5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(F)CC2)ncc1F
InChIInChI=1S/C10H12F2N4O/c11-6-1-3-16(4-2-6)10-14-5-7(12)8(15-10)9(13)17/h5-6H,1-4H2,(H2,13,17)
InChIKeyIBYIRYPJVWCKGC-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.65
Rot. Bonds2

About 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide

5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 169090066) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID169090066
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(F)CC2)ncc1F
InChIInChI=1S/C10H12F2N4O/c11-6-1-3-16(4-2-6)10-14-5-7(12)8(15-10)9(13)17/h5-6H,1-4H2,(H2,13,17)
InChIKeyIBYIRYPJVWCKGC-UHFFFAOYSA-N
XLogP0.65
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide (CID 169090066) is 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(F)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is IBYIRYPJVWCKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c11-6-1-3-16(4-2-6)10-14-5-7(12)8(15-10)9(13)17/h5-6H,1-4H2,(H2,13,17).
What are the key properties of 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide?
5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 242.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoropiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 169090066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).