N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

C16H23N5O2S — CID 121475823

IUPACN,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCc1cnc(NC(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H23N5O2S/c1-11(2)18-16-17-10-12(3)15(20-16)19-13-7-6-8-14(9-13)24(22,23)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20)
InChIKeyNDUJPGSKPJZRHU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.60
Rot. Bonds6

About N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 121475823) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID121475823
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCc1cnc(NC(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H23N5O2S/c1-11(2)18-16-17-10-12(3)15(20-16)19-13-7-6-8-14(9-13)24(22,23)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20)
InChIKeyNDUJPGSKPJZRHU-UHFFFAOYSA-N
XLogP2.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 91531044
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
3-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-methylpyrimidin-2-yl]amino]benzenesulfonyl fluoride
CID 142188400
N-tert-butyl-2-methyl-5-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 143453080
N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 123424384
3-[[4-[3-[(dimethylsulfamoylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 46836373
2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
CID 66649633
3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 16722938
3-[[5-methyl-2-(3-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 163899257
3-[[5-methyl-4-[4-[(propan-2-ylsulfonylamino)methyl]anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 24743703
2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
CID 129046624
3-[[5-methyl-4-[(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 67046996

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide (CID 121475823) is N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide is Cc1cnc(NC(C)C)nc1Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is NDUJPGSKPJZRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11(2)18-16-17-10-12(3)15(20-16)19-13-7-6-8-14(9-13)24(22,23)21(4)5/h6-11H,1-5H3,(H2,17,18,19,20).
What are the key properties of N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 121475823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).