5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide

C14H21FN4O2 — CID 166390903

IUPAC5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2nc[nH]c(=O)c2F)CC(C)(C)N1
InChIInChI=1S/C14H21FN4O2/c1-13(2)5-8(6-14(3,4)19-13)18-12(21)10-9(15)11(20)17-7-16-10/h7-8,19H,5-6H2,1-4H3,(H,18,21)(H,16,17,20)
InChIKeyYZFZUCCZNAXGLB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.95
Rot. Bonds2

About 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide

5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 166390903) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide
PubChem CID166390903
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2nc[nH]c(=O)c2F)CC(C)(C)N1
InChIInChI=1S/C14H21FN4O2/c1-13(2)5-8(6-14(3,4)19-13)18-12(21)10-9(15)11(20)17-7-16-10/h7-8,19H,5-6H2,1-4H3,(H,18,21)(H,16,17,20)
InChIKeyYZFZUCCZNAXGLB-UHFFFAOYSA-N
XLogP0.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide (CID 166390903) is 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide is CC1(C)CC(NC(=O)c2nc[nH]c(=O)c2F)CC(C)(C)N1.
What is the InChIKey of 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide?
The InChIKey is YZFZUCCZNAXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-13(2)5-8(6-14(3,4)19-13)18-12(21)10-9(15)11(20)17-7-16-10/h7-8,19H,5-6H2,1-4H3,(H,18,21)(H,16,17,20).
What are the key properties of 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide?
5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166390903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).