N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine

C14H18N4O2S2 — CID 124960237

IUPACN,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)nc(C)n1
InChIInChI=1S/C14H18N4O2S2/c1-10-16-11(9-13(15-2)17-10)12-5-3-7-18(12)22(19,20)14-6-4-8-21-14/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyGTBOPUDHRQJEAS-GFCCVEGCSA-N
MW338.46 g/mol
LogP2.41
Rot. Bonds4

About N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine

N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 124960237) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID124960237
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)nc(C)n1
InChIInChI=1S/C14H18N4O2S2/c1-10-16-11(9-13(15-2)17-10)12-5-3-7-18(12)22(19,20)14-6-4-8-21-14/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyGTBOPUDHRQJEAS-GFCCVEGCSA-N
XLogP2.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113666
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
3-propan-2-yl-5-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653844
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 110091079
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine (CID 124960237) is N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine is CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is GTBOPUDHRQJEAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-10-16-11(9-13(15-2)17-10)12-5-3-7-18(12)22(19,20)14-6-4-8-21-14/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine?
N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 124960237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).