2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide

C11H18N4O3S — CID 50960691

IUPAC2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)S(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(14-9(2)13-8)11(16)12-5-6-15(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyLMSOYCXMLNKUGY-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.29
Rot. Bonds5

About 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide (PubChem CID 50960691) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide
PubChem CID50960691
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)S(C)(=O)=O)nc(C)n1
InChIInChI=1S/C11H18N4O3S/c1-8-7-10(14-9(2)13-8)11(16)12-5-6-15(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyLMSOYCXMLNKUGY-UHFFFAOYSA-N
XLogP-0.29
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,7-trimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74250478
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109325078
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
propan-2-yl (2S)-3-[(2,6-dimethylpyrimidine-4-carbonyl)amino]-2-methylpropanoate
CID 97353365
1-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70776595
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
CID 50980034
2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 110836325
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide (CID 50960691) is 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCN(C)S(C)(=O)=O)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide?
The InChIKey is LMSOYCXMLNKUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-7-10(14-9(2)13-8)11(16)12-5-6-15(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 50960691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).