4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C19H21N5O5S — CID 139991866

IUPAC4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2cc(N)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O5S/c1-27-15-8-11(9-16(28-2)18(15)29-3)14-10-17(20)24-19(23-14)22-12-4-6-13(7-5-12)30(21,25)26/h4-10H,1-3H3,(H2,21,25,26)(H3,20,22,23,24)
InChIKeyVDGGXJQIFWOHNW-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.14
Rot. Bonds7

About 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 139991866) has the molecular formula C19H21N5O5S and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID139991866
Molecular FormulaC19H21N5O5S
Molecular Weight431.47 g/mol
Exact Mass431.13
IUPAC Name4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2cc(N)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O5S/c1-27-15-8-11(9-16(28-2)18(15)29-3)14-10-17(20)24-19(23-14)22-12-4-6-13(7-5-12)30(21,25)26/h4-10H,1-3H3,(H2,21,25,26)(H3,20,22,23,24)
InChIKeyVDGGXJQIFWOHNW-UHFFFAOYSA-N
XLogP2.14
TPSA151.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-[[5-cyano-2-propan-2-ylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 163196736
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 22222239
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 4693909
4-[[4-(2-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 174726378

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 139991866) is 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is COc1cc(-c2cc(N)nc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is VDGGXJQIFWOHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S/c1-27-15-8-11(9-16(28-2)18(15)29-3)14-10-17(20)24-19(23-14)22-12-4-6-13(7-5-12)30(21,25)26/h4-10H,1-3H3,(H2,21,25,26)(H3,20,22,23,24).
What are the key properties of 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 431.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 139991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).