N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C15H21N7O3S — CID 122338267

IUPACN-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H21N7O3S/c1-19(26(2,24)25)10-15(23)21-7-5-20(6-8-21)13-9-14(18-11-17-13)22-4-3-16-12-22/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyIJVZDUWTOLUULY-UHFFFAOYSA-N
MW379.45 g/mol
LogP-0.80
Rot. Bonds5

About N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 122338267) has the molecular formula C15H21N7O3S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID122338267
Molecular FormulaC15H21N7O3S
Molecular Weight379.45 g/mol
Exact Mass379.14
IUPAC NameN-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H21N7O3S/c1-19(26(2,24)25)10-15(23)21-7-5-20(6-8-21)13-9-14(18-11-17-13)22-4-3-16-12-22/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyIJVZDUWTOLUULY-UHFFFAOYSA-N
XLogP-0.80
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[2-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122343492
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 56700366
N-methyl-N-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 122349538
2-(4-chlorophenyl)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56699287
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086870
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122332327
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122338339
N-methyl-N-[2-oxo-2-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122339018

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 122338267) is N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is IJVZDUWTOLUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3S/c1-19(26(2,24)25)10-15(23)21-7-5-20(6-8-21)13-9-14(18-11-17-13)22-4-3-16-12-22/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 379.45 g/mol, XLogP of -0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122338267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).