4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide

C17H20N6O2S — CID 165020058

IUPAC4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
SMILESCC(C)(C)Nc1ncc2c(N)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C17H20N6O2S/c1-17(2,3)23-16-21-9-13-14(22-16)12(8-20-15(13)18)10-4-6-11(7-5-10)26(19,24)25/h4-9H,1-3H3,(H2,18,20)(H2,19,24,25)(H,21,22,23)
InChIKeyLAIFEDBPJUTYKY-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.13
Rot. Bonds3

About 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide

4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide (PubChem CID 165020058) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
PubChem CID165020058
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
SMILESCC(C)(C)Nc1ncc2c(N)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1
InChIInChI=1S/C17H20N6O2S/c1-17(2,3)23-16-21-9-13-14(22-16)12(8-20-15(13)18)10-4-6-11(7-5-10)26(19,24)25/h4-9H,1-3H3,(H2,18,20)(H2,19,24,25)(H,21,22,23)
InChIKeyLAIFEDBPJUTYKY-UHFFFAOYSA-N
XLogP2.13
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 167021763
2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 175705974
5-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
CID 165021907
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-(2-aminophenyl)benzenesulfonamide
CID 18545753
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355772
3-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
CID 137420298
p-t-Butylbenzenesulfonamide potassium
CID 66748434
4-(2-ethyl-3-pyridinyl)benzenesulfonamide
CID 135215763
4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
CID 174424491
4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 20658583

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide?
The IUPAC name of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide (CID 165020058) is 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide is CC(C)(C)Nc1ncc2c(N)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1.
What is the InChIKey of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide?
The InChIKey is LAIFEDBPJUTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-17(2,3)23-16-21-9-13-14(22-16)12(8-20-15(13)18)10-4-6-11(7-5-10)26(19,24)25/h4-9H,1-3H3,(H2,18,20)(H2,19,24,25)(H,21,22,23).
What are the key properties of 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide?
4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(tert-butylamino)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide is sourced from PubChem (CID 165020058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).