6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine

C14H20N6O2S — CID 102604163

IUPAC6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C14H20N6O2S/c1-10-7-11(15)18-13(17-10)14(2)5-4-6-20(14)23(21,22)12-8-19(3)9-16-12/h7-9H,4-6H2,1-3H3,(H2,15,17,18)
InChIKeyJQZWGURYLSWVRM-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.80
Rot. Bonds3

About 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine

6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 102604163) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID102604163
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C14H20N6O2S/c1-10-7-11(15)18-13(17-10)14(2)5-4-6-20(14)23(21,22)12-8-19(3)9-16-12/h7-9H,4-6H2,1-3H3,(H2,15,17,18)
InChIKeyJQZWGURYLSWVRM-UHFFFAOYSA-N
XLogP0.80
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine (CID 102604163) is 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine is Cc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cn(C)cn2)n1.
What is the InChIKey of 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is JQZWGURYLSWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-7-11(15)18-13(17-10)14(2)5-4-6-20(14)23(21,22)12-8-19(3)9-16-12/h7-9H,4-6H2,1-3H3,(H2,15,17,18).
What are the key properties of 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 102604163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).