2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

C19H17FN6O4S — CID 59145743

IUPAC2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(F)c(Nc2ncc(C(N)=O)c(Nc3ccccc3S(N)(=O)=O)n2)c1
InChIInChI=1S/C19H17FN6O4S/c1-10(27)11-6-7-13(20)15(8-11)25-19-23-9-12(17(21)28)18(26-19)24-14-4-2-3-5-16(14)31(22,29)30/h2-9H,1H3,(H2,21,28)(H2,22,29,30)(H2,23,24,25,26)
InChIKeyCXSURHNPKAHCHO-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.05
Rot. Bonds7

About 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (PubChem CID 59145743) has the molecular formula C19H17FN6O4S and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
PubChem CID59145743
Molecular FormulaC19H17FN6O4S
Molecular Weight444.45 g/mol
Exact Mass444.10
IUPAC Name2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(F)c(Nc2ncc(C(N)=O)c(Nc3ccccc3S(N)(=O)=O)n2)c1
InChIInChI=1S/C19H17FN6O4S/c1-10(27)11-6-7-13(20)15(8-11)25-19-23-9-12(17(21)28)18(26-19)24-14-4-2-3-5-16(14)31(22,29)30/h2-9H,1H3,(H2,21,28)(H2,22,29,30)(H2,23,24,25,26)
InChIKeyCXSURHNPKAHCHO-UHFFFAOYSA-N
XLogP2.05
TPSA170.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (CID 59145743) is 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is CC(=O)c1ccc(F)c(Nc2ncc(C(N)=O)c(Nc3ccccc3S(N)(=O)=O)n2)c1.
What is the InChIKey of 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The InChIKey is CXSURHNPKAHCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O4S/c1-10(27)11-6-7-13(20)15(8-11)25-19-23-9-12(17(21)28)18(26-19)24-14-4-2-3-5-16(14)31(22,29)30/h2-9H,1H3,(H2,21,28)(H2,22,29,30)(H2,23,24,25,26).
What are the key properties of 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 59145743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).