5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

C21H25N7O2S — CID 129143644

IUPAC5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NC2=NC(N(C)c3ccc4c(C)n(C)nc4c3)C=CN2)cc1S(N)(=O)=O
InChIInChI=1S/C21H25N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12,20H,1-4H3,(H2,22,29,30)(H2,23,24,25)
InChIKeyDWHVWJQNVFBLIL-UHFFFAOYSA-N
MW439.55 g/mol
LogP2.18
Rot. Bonds4

About 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide

5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide (PubChem CID 129143644) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
PubChem CID129143644
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC Name5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NC2=NC(N(C)c3ccc4c(C)n(C)nc4c3)C=CN2)cc1S(N)(=O)=O
InChIInChI=1S/C21H25N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12,20H,1-4H3,(H2,22,29,30)(H2,23,24,25)
InChIKeyDWHVWJQNVFBLIL-UHFFFAOYSA-N
XLogP2.18
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide (CID 129143644) is 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide is Cc1ccc(NC2=NC(N(C)c3ccc4c(C)n(C)nc4c3)C=CN2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide?
The InChIKey is DWHVWJQNVFBLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12,20H,1-4H3,(H2,22,29,30)(H2,23,24,25).
What are the key properties of 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide?
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide has a molecular weight of 439.55 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,4-dihydropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 129143644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).