N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide

C15H22N6O2S — CID 110099457

IUPACN,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1cnc(-c2cc(CC3CCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]1
InChIInChI=1S/C15H22N6O2S/c1-11-8-16-15(19-11)14-7-13(17-10-18-14)6-12-4-5-21(9-12)24(22,23)20(2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyDGNWKLUYOSSSSY-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.85
Rot. Bonds5

About N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide

N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 110099457) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID110099457
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC NameN,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCc1cnc(-c2cc(CC3CCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]1
InChIInChI=1S/C15H22N6O2S/c1-11-8-16-15(19-11)14-7-13(17-10-18-14)6-12-4-5-21(9-12)24(22,23)20(2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,19)
InChIKeyDGNWKLUYOSSSSY-UHFFFAOYSA-N
XLogP0.85
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide with MolForge

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Related Compounds

(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125008882
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917
2-[6-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124946428
4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
CID 124959054
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124989412
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
CID 110099473
4-[6-[[1-(dimethylsulfamoyl)piperidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 110120399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide (CID 110099457) is N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide is Cc1cnc(-c2cc(CC3CCN(S(=O)(=O)N(C)C)C3)ncn2)[nH]1.
What is the InChIKey of N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is DGNWKLUYOSSSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11-8-16-15(19-11)14-7-13(17-10-18-14)6-12-4-5-21(9-12)24(22,23)20(2)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,19).
What are the key properties of N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110099457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).