3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C94H81N25O19S4 — CID 162048661

IUPAC3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc21.NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1.NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)c1
InChIInChI=1S/C20H17N5O3.2C19H17N5O4S.2C18H15N5O4S/c1-25-16-10-12(5-6-17(16)28-11-18(25)26)15-7-8-22-20(24-15)23-14-4-2-3-13(9-14)19(21)27;1-24-16-10-12(2-7-17(16)28-11-18(24)25)15-8-9-21-19(23-15)22-13-3-5-14(6-4-13)29(20,26)27;1-24-16-9-12(5-6-17(16)28-11-18(24)25)15-7-8-21-19(23-15)22-13-3-2-4-14(10-13)29(20,26)27;19-28(25,26)13-4-2-12(3-5-13)21-18-20-8-7-14(23-18)11-1-6-16-15(9-11)22-17(24)10-27-16;19-28(25,26)13-3-1-2-12(9-13)21-18-20-7-6-14(23-18)11-4-5-16-15(8-11)22-17(24)10-27-16/h2-10H,11H2,1H3,(H2,21,27)(H,22,23,24);2*2-10H,11H2,1H3,(H2,20,26,27)(H,21,22,23);2*1-9H,10H2,(H,22,24)(H2,19,25,26)(H,20,21,23)
InChIKeyYYGGCMHBQGHVJB-UHFFFAOYSA-N
MW1993.11 g/mol
LogP9.85
Rot. Bonds20

About 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide

3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 162048661) has the molecular formula C94H81N25O19S4 and a molecular weight of 1993.11 g/mol. Its IUPAC name is 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID162048661
Molecular FormulaC94H81N25O19S4
Molecular Weight1993.11 g/mol
Exact Mass1991.50
IUPAC Name3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc21.NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1.NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)c1
InChIInChI=1S/C20H17N5O3.2C19H17N5O4S.2C18H15N5O4S/c1-25-16-10-12(5-6-17(16)28-11-18(25)26)15-7-8-22-20(24-15)23-14-4-2-3-13(9-14)19(21)27;1-24-16-10-12(2-7-17(16)28-11-18(24)25)15-8-9-21-19(23-15)22-13-3-5-14(6-4-13)29(20,26)27;1-24-16-9-12(5-6-17(16)28-11-18(24)25)15-7-8-21-19(23-15)22-13-3-2-4-14(10-13)29(20,26)27;19-28(25,26)13-4-2-12(3-5-13)21-18-20-8-7-14(23-18)11-1-6-16-15(9-11)22-17(24)10-27-16;19-28(25,26)13-3-1-2-12(9-13)21-18-20-7-6-14(23-18)11-4-5-16-15(8-11)22-17(24)10-27-16/h2-10H,11H2,1H3,(H2,21,27)(H,22,23,24);2*2-10H,11H2,1H3,(H2,20,26,27)(H,21,22,23);2*1-9H,10H2,(H,22,24)(H2,19,25,26)(H,20,21,23)
InChIKeyYYGGCMHBQGHVJB-UHFFFAOYSA-N
XLogP9.85
TPSA638.06 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.11
LogP ≤ 59.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(4-Methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 9931428
3-[[4-[3-Oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10028449
4-[[4-(4-Methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10409351
3-[[4-[4-(2-Morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10436363
4-[[4-[4-(2-Morpholin-4-ylethyl)-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 11756071
4-[[4-[3-Oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58933909
Methyl 3-[[4-[3-oxo-4-(pyridin-4-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate
CID 58933913
3-[[4-[3-Oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58933914
4-[[4-[3-Oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58933915
3-[[4-[3-Oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzamide
CID 58933922
Methyl 3-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate
CID 58933928
3-[[4-[3-Oxo-4-(pyridin-4-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58933931

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 162048661) is 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide is CN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)n3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)cc21.NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1.NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)NC(=O)CO4)n2)c1.
What is the InChIKey of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is YYGGCMHBQGHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3.2C19H17N5O4S.2C18H15N5O4S/c1-25-16-10-12(5-6-17(16)28-11-18(25)26)15-7-8-22-20(24-15)23-14-4-2-3-13(9-14)19(21)27;1-24-16-10-12(2-7-17(16)28-11-18(24)25)15-8-9-21-19(23-15)22-13-3-5-14(6-4-13)29(20,26)27;1-24-16-9-12(5-6-17(16)28-11-18(24)25)15-7-8-21-19(23-15)22-13-3-2-4-14(10-13)29(20,26)27;19-28(25,26)13-4-2-12(3-5-13)21-18-20-8-7-14(23-18)11-1-6-16-15(9-11)22-17(24)10-27-16;19-28(25,26)13-3-1-2-12(9-13)21-18-20-7-6-14(23-18)11-4-5-16-15(8-11)22-17(24)10-27-16/h2-10H,11H2,1H3,(H2,21,27)(H,22,23,24);2*2-10H,11H2,1H3,(H2,20,26,27)(H,21,22,23);2*1-9H,10H2,(H,22,24)(H2,19,25,26)(H,20,21,23).
What are the key properties of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 1993.11 g/mol, XLogP of 9.85, 20 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 162048661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).