6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid

C13H15F3N4O4 — CID 162745052

IUPAC6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid
SMILESCC(=O)N1CCC(Nc2cc(C(=O)O)nc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N4O4/c1-7(21)20-4-2-8(3-5-20)17-10-6-9(11(22)23)18-12(19-10)24-13(14,15)16/h6,8H,2-5H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyJVDSSTUSAYIMEF-UHFFFAOYSA-N
MW348.28 g/mol
LogP1.50
Rot. Bonds4

About 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid

6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid (PubChem CID 162745052) has the molecular formula C13H15F3N4O4 and a molecular weight of 348.28 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid
PubChem CID162745052
Molecular FormulaC13H15F3N4O4
Molecular Weight348.28 g/mol
Exact Mass348.10
IUPAC Name6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid
SMILESCC(=O)N1CCC(Nc2cc(C(=O)O)nc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N4O4/c1-7(21)20-4-2-8(3-5-20)17-10-6-9(11(22)23)18-12(19-10)24-13(14,15)16/h6,8H,2-5H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyJVDSSTUSAYIMEF-UHFFFAOYSA-N
XLogP1.50
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 132206838
CID 132206838
CID 132206848
CID 132206848
CID 132207472
CID 132207472
CID 132207762
CID 132207762
CID 146883242
CID 146883242
CID 149517615
CID 149517615
CID 162745182
CID 162745182

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid (CID 162745052) is 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid is CC(=O)N1CCC(Nc2cc(C(=O)O)nc(OC(F)(F)F)n2)CC1.
What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is JVDSSTUSAYIMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O4/c1-7(21)20-4-2-8(3-5-20)17-10-6-9(11(22)23)18-12(19-10)24-13(14,15)16/h6,8H,2-5H2,1H3,(H,22,23)(H,17,18,19).
What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid?
6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 348.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 162745052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).