N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C18H21N7O3S — CID 122291620

IUPACN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H21N7O3S/c1-13-20-16(10-17(21-13)25-9-8-19-12-25)22-14-4-6-15(7-5-14)23-18(26)11-24(2)29(3,27)28/h4-10,12H,11H2,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyWQUKCGAQVNXVKV-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.54
Rot. Bonds7

About N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 122291620) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID122291620
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC NameN-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H21N7O3S/c1-13-20-16(10-17(21-13)25-9-8-19-12-25)22-14-4-6-15(7-5-14)23-18(26)11-24(2)29(3,27)28/h4-10,12H,11H2,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyWQUKCGAQVNXVKV-UHFFFAOYSA-N
XLogP1.54
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 70703585
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122291669
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920689

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 122291620) is N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is Cc1nc(Nc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is WQUKCGAQVNXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-13-20-16(10-17(21-13)25-9-8-19-12-25)22-14-4-6-15(7-5-14)23-18(26)11-24(2)29(3,27)28/h4-10,12H,11H2,1-3H3,(H,23,26)(H,20,21,22).
What are the key properties of N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 415.48 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 122291620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).