2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide

C14H18N4O3S — CID 30041216

IUPAC2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccnc(NCc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-18(2)22(19,20)12-7-5-4-6-11(12)10-16-14-15-9-8-13(17-14)21-3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyRQIRBZUAYYBDLN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.35
Rot. Bonds6

About 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide

2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 30041216) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID30041216
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccnc(NCc2ccccc2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H18N4O3S/c1-18(2)22(19,20)12-7-5-4-6-11(12)10-16-14-15-9-8-13(17-14)21-3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyRQIRBZUAYYBDLN-UHFFFAOYSA-N
XLogP1.35
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 17499839
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56744605
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 112670520
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111215724
4-methoxy-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
CID 78898230
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 30041216) is 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide is COc1ccnc(NCc2ccccc2S(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is RQIRBZUAYYBDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18(2)22(19,20)12-7-5-4-6-11(12)10-16-14-15-9-8-13(17-14)21-3/h4-9H,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 30041216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).