4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C17H20N6O3S — CID 112922514

IUPAC4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-9-15(21-17(20-11)22-16-10-12(2)26-23-16)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,9-10H,7-8H2,1-2H3,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyHRYSNYAGGQDDSI-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.13
Rot. Bonds7

About 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112922514) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112922514
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-9-15(21-17(20-11)22-16-10-12(2)26-23-16)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,9-10H,7-8H2,1-2H3,(H2,18,24,25)(H2,19,20,21,22,23)
InChIKeyHRYSNYAGGQDDSI-UHFFFAOYSA-N
XLogP2.13
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

2-N-[2-(4-chlorophenyl)ethyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922714
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112918669
4-[2-[[5-(3,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
CID 112955972
4-[2-[[4-(butylamino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 112882844
4-[2-[[2-(butylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112883036

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112922514) is 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(Nc2cc(C)on2)n1.
What is the InChIKey of 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is HRYSNYAGGQDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-11-9-15(21-17(20-11)22-16-10-12(2)26-23-16)19-8-7-13-3-5-14(6-4-13)27(18,24)25/h3-6,9-10H,7-8H2,1-2H3,(H2,18,24,25)(H2,19,20,21,22,23).
What are the key properties of 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112922514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).