N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide

C21H24N6O5S — CID 136636502

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C21H24N6O5S/c1-13-12-18(27(25-13)21-22-15(3)14(2)19(28)24-21)23-20(29)16-4-6-17(7-5-16)33(30,31)26-8-10-32-11-9-26/h4-7,12H,8-11H2,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyKWAZIWAVGXVZTM-UHFFFAOYSA-N
MW472.53 g/mol
LogP1.15
Rot. Bonds5

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 136636502) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID136636502
Molecular FormulaC21H24N6O5S
Molecular Weight472.53 g/mol
Exact Mass472.15
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C21H24N6O5S/c1-13-12-18(27(25-13)21-22-15(3)14(2)19(28)24-21)23-20(29)16-4-6-17(7-5-16)33(30,31)26-8-10-32-11-9-26/h4-7,12H,8-11H2,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyKWAZIWAVGXVZTM-UHFFFAOYSA-N
XLogP1.15
TPSA139.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136636514
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136604816
4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551467
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 73451706
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136615429
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 136636502) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KWAZIWAVGXVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-13-12-18(27(25-13)21-22-15(3)14(2)19(28)24-21)23-20(29)16-4-6-17(7-5-16)33(30,31)26-8-10-32-11-9-26/h4-7,12H,8-11H2,1-3H3,(H,23,29)(H,22,24,28).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 472.53 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 136636502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).