1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea

C18H20N8O3S — CID 155554840

IUPAC1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESCN(C)c1nc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H20N8O3S/c1-26(2)17-23-15(20-12-6-4-3-5-7-12)22-16(24-17)25-18(27)21-13-8-10-14(11-9-13)30(19,28)29/h3-11H,1-2H3,(H2,19,28,29)(H3,20,21,22,23,24,25,27)
InChIKeyWVUNXAMHZFCUJQ-UHFFFAOYSA-N
MW428.48 g/mol
LogP1.97
Rot. Bonds6

About 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea

1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155554840) has the molecular formula C18H20N8O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
PubChem CID155554840
Molecular FormulaC18H20N8O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESCN(C)c1nc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H20N8O3S/c1-26(2)17-23-15(20-12-6-4-3-5-7-12)22-16(24-17)25-18(27)21-13-8-10-14(11-9-13)30(19,28)29/h3-11H,1-2H3,(H2,19,28,29)(H3,20,21,22,23,24,25,27)
InChIKeyWVUNXAMHZFCUJQ-UHFFFAOYSA-N
XLogP1.97
TPSA155.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea (CID 155554840) is 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea is CN(C)c1nc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is WVUNXAMHZFCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3S/c1-26(2)17-23-15(20-12-6-4-3-5-7-12)22-16(24-17)25-18(27)21-13-8-10-14(11-9-13)30(19,28)29/h3-11H,1-2H3,(H2,19,28,29)(H3,20,21,22,23,24,25,27).
What are the key properties of 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea?
1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 428.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155554840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).