N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide

C21H24N6O4S — CID 2395510

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C21H24N6O4S/c1-14-11-15(2)23-21(22-14)27-19(12-16(3)25-27)24-20(28)17-5-4-6-18(13-17)32(29,30)26-7-9-31-10-8-26/h4-6,11-13H,7-10H2,1-3H3,(H,24,28)
InChIKeyDTAIIYSIRMWIMF-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2395510) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2395510
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C21H24N6O4S/c1-14-11-15(2)23-21(22-14)27-19(12-16(3)25-27)24-20(28)17-5-4-6-18(13-17)32(29,30)26-7-9-31-10-8-26/h4-6,11-13H,7-10H2,1-3H3,(H,24,28)
InChIKeyDTAIIYSIRMWIMF-UHFFFAOYSA-N
XLogP1.86
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 2395510) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DTAIIYSIRMWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-14-11-15(2)23-21(22-14)27-19(12-16(3)25-27)24-20(28)17-5-4-6-18(13-17)32(29,30)26-7-9-31-10-8-26/h4-6,11-13H,7-10H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 456.53 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).