4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline

C21H20N6O2S — CID 90094467

IUPAC4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C21H20N6O2S/c1-27(2)30(28,29)26-16-6-3-5-15(11-16)20-17(7-4-10-23-20)14-8-9-19-18(12-14)21(22)25-13-24-19/h3-13,26H,1-2H3,(H2,22,24,25)
InChIKeyGWUIIWBRDKUPTD-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline

4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline (PubChem CID 90094467) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline
PubChem CID90094467
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C21H20N6O2S/c1-27(2)30(28,29)26-16-6-3-5-15(11-16)20-17(7-4-10-23-20)14-8-9-19-18(12-14)21(22)25-13-24-19/h3-13,26H,1-2H3,(H2,22,24,25)
InChIKeyGWUIIWBRDKUPTD-UHFFFAOYSA-N
XLogP3.16
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline?
The IUPAC name of 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline (CID 90094467) is 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline.
What is the SMILES notation for 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline?
The canonical SMILES for 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline is CN(C)S(=O)(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.
What is the InChIKey of 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline?
The InChIKey is GWUIIWBRDKUPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-27(2)30(28,29)26-16-6-3-5-15(11-16)20-17(7-4-10-23-20)14-8-9-19-18(12-14)21(22)25-13-24-19/h3-13,26H,1-2H3,(H2,22,24,25).
What are the key properties of 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline?
4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline has a molecular weight of 420.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-[3-(dimethylsulfamoylamino)phenyl]-3-pyridinyl]quinazoline is sourced from PubChem (CID 90094467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).