1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C16H22N4O3S — CID 17499839

IUPAC1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCOc1ccnc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12(2)20-24(21,22)11-14-7-5-4-6-13(14)10-18-16-17-9-8-15(19-16)23-3/h4-9,12,20H,10-11H2,1-3H3,(H,17,18,19)
InChIKeyWFHYRBVHBSHHLQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.93
Rot. Bonds8

About 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 17499839) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID17499839
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCOc1ccnc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C16H22N4O3S/c1-12(2)20-24(21,22)11-14-7-5-4-6-13(14)10-18-16-17-9-8-15(19-16)23-3/h4-9,12,20H,10-11H2,1-3H3,(H,17,18,19)
InChIKeyWFHYRBVHBSHHLQ-UHFFFAOYSA-N
XLogP1.93
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041216
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 86816133
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 133359068
4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56744605
5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122053304
N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 17499839) is 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is COc1ccnc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1.
What is the InChIKey of 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is WFHYRBVHBSHHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12(2)20-24(21,22)11-14-7-5-4-6-13(14)10-18-16-17-9-8-15(19-16)23-3/h4-9,12,20H,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 17499839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).