2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide

C19H24N6O4S — CID 176858343

IUPAC2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(N)=O)c(Nc3ccccc3S(C)(=O)=O)n2)C(C)C1
InChIInChI=1S/C19H24N6O4S/c1-12-11-24(13(2)26)8-9-25(12)19-21-10-14(17(20)27)18(23-19)22-15-6-4-5-7-16(15)30(3,28)29/h4-7,10,12H,8-9,11H2,1-3H3,(H2,20,27)(H,21,22,23)
InChIKeyGYLFFPBSALDFCU-UHFFFAOYSA-N
MW432.51 g/mol
LogP0.78
Rot. Bonds5

About 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide

2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide (PubChem CID 176858343) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
PubChem CID176858343
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(N)=O)c(Nc3ccccc3S(C)(=O)=O)n2)C(C)C1
InChIInChI=1S/C19H24N6O4S/c1-12-11-24(13(2)26)8-9-25(12)19-21-10-14(17(20)27)18(23-19)22-15-6-4-5-7-16(15)30(3,28)29/h4-7,10,12H,8-9,11H2,1-3H3,(H2,20,27)(H,21,22,23)
InChIKeyGYLFFPBSALDFCU-UHFFFAOYSA-N
XLogP0.78
TPSA138.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-acetyl-2-methylpiperazin-1-yl)-N-methyl-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 176858344
1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 167420915
2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 123699015
1-[(3S)-3-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 99867847
1-[3-methyl-4-[6-propan-2-yl-4-(quinolin-3-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 91017410
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 163291295
4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
CID 173222605
2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145733
2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145747
5-chloro-6-ethyl-3-(2-methylsulfonylanilino)pyrazine-2-carboxamide
CID 88569686
2-(5-amino-2-fluoroanilino)-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533950
6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one
CID 122620398

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide (CID 176858343) is 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide is CC(=O)N1CCN(c2ncc(C(N)=O)c(Nc3ccccc3S(C)(=O)=O)n2)C(C)C1.
What is the InChIKey of 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide?
The InChIKey is GYLFFPBSALDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-12-11-24(13(2)26)8-9-25(12)19-21-10-14(17(20)27)18(23-19)22-15-6-4-5-7-16(15)30(3,28)29/h4-7,10,12H,8-9,11H2,1-3H3,(H2,20,27)(H,21,22,23).
What are the key properties of 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide?
2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 176858343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).