[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone

C18H21N3O — CID 124954186

IUPAC[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
SMILESCc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O/c1-13-12-14(2)20-17(19-13)18(3)10-7-11-21(18)16(22)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3/t18-/m1/s1
InChIKeyFARANZOBAKPLTK-GOSISDBHSA-N
MW295.39 g/mol
LogP3.24
Rot. Bonds2

About [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone

[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone (PubChem CID 124954186) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
PubChem CID124954186
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
SMILESCc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O/c1-13-12-14(2)20-17(19-13)18(3)10-7-11-21(18)16(22)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3/t18-/m1/s1
InChIKeyFARANZOBAKPLTK-GOSISDBHSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
CID 95848209
(2,3-difluorophenyl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 125021365
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 127245522
(4-fluorophenyl)-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 95848313
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124941950
1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
CID 95848343
1-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 102604148
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125010972
6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 110272192
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124956715
[2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 127245516

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone (CID 124954186) is [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone is Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone?
The InChIKey is FARANZOBAKPLTK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-12-14(2)20-17(19-13)18(3)10-7-11-21(18)16(22)15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone?
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124954186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).