N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

C19H29N5O2S — CID 143453080

IUPACN-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nc(NC(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H29N5O2S/c1-12(2)21-18-20-11-14(4)17(23-18)22-15-9-8-13(3)16(10-15)27(25,26)24-19(5,6)7/h8-12,24H,1-7H3,(H2,20,21,22,23)
InChIKeyHOFVSFVMBQOQGM-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.73
Rot. Bonds6

About N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 143453080) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID143453080
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC NameN-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nc(NC(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H29N5O2S/c1-12(2)21-18-20-11-14(4)17(23-18)22-15-9-8-13(3)16(10-15)27(25,26)24-19(5,6)7/h8-12,24H,1-7H3,(H2,20,21,22,23)
InChIKeyHOFVSFVMBQOQGM-UHFFFAOYSA-N
XLogP3.73
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-5-[(2,5-dimethylpyrimidin-4-yl)amino]-2-methylbenzenesulfonamide
CID 145296716
N-methyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 91531044
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 121475823
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
2-methyl-5-[[5-methyl-4-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]pyrimidin-2-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 25060627
5-[[4-(3-ethynylanilino)-5-methylpyrimidin-2-yl]amino]-N,2-dimethylbenzenesulfonamide
CID 25062707
5-[[4-[3-[(cyclopropylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 69263539
N-tert-butyl-3-[[5-methyl-2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 58412722
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-tert-butylbenzenesulfonamide
CID 66647791
N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;molecular hydrogen
CID 163298223
N-tert-butyl-3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 16722339
1-[3-[4-[[4-[3-(tert-butylsulfamoyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]propyl]-3-methylurea
CID 142534830

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide (CID 143453080) is N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide is Cc1ccc(Nc2nc(NC(C)C)ncc2C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is HOFVSFVMBQOQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-12(2)21-18-20-11-14(4)17(23-18)22-15-9-8-13(3)16(10-15)27(25,26)24-19(5,6)7/h8-12,24H,1-7H3,(H2,20,21,22,23).
What are the key properties of N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 143453080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).