2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C14H20N6O3S — CID 122300670

IUPAC2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nn(-c2ncc(NC(=O)CN(C)S(C)(=O)=O)cn2)c(C)c1C
InChIInChI=1S/C14H20N6O3S/c1-9-10(2)18-20(11(9)3)14-15-6-12(7-16-14)17-13(21)8-19(4)24(5,22)23/h6-7H,8H2,1-5H3,(H,17,21)
InChIKeyFYWBLDLKPKQMKG-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.42
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122300670) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122300670
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nn(-c2ncc(NC(=O)CN(C)S(C)(=O)=O)cn2)c(C)c1C
InChIInChI=1S/C14H20N6O3S/c1-9-10(2)18-20(11(9)3)14-15-6-12(7-16-14)17-13(21)8-19(4)24(5,22)23/h6-7H,8H2,1-5H3,(H,17,21)
InChIKeyFYWBLDLKPKQMKG-UHFFFAOYSA-N
XLogP0.42
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300676
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 122300670) is 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is Cc1nn(-c2ncc(NC(=O)CN(C)S(C)(=O)=O)cn2)c(C)c1C.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is FYWBLDLKPKQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-9-10(2)18-20(11(9)3)14-15-6-12(7-16-14)17-13(21)8-19(4)24(5,22)23/h6-7H,8H2,1-5H3,(H,17,21).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122300670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).