1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone

C18H22N4O2 — CID 95848343

IUPAC1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(N)nc([C@]2(C)CCCN2C(=O)COc2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(19)21-17(20-13)18(2)9-6-10-22(18)16(23)12-24-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H2,19,20,21)/t18-/m0/s1
InChIKeyGXMLHNGAVHJPES-SFHVURJKSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds4

About 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone

1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 95848343) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID95848343
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(N)nc([C@]2(C)CCCN2C(=O)COc2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(19)21-17(20-13)18(2)9-6-10-22(18)16(23)12-24-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H2,19,20,21)/t18-/m0/s1
InChIKeyGXMLHNGAVHJPES-SFHVURJKSA-N
XLogP2.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 124954186
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124941950
2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
CID 95848209
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124956715
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 110272207
N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95848262
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone (CID 95848343) is 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone is Cc1cc(N)nc([C@]2(C)CCCN2C(=O)COc2ccccc2)n1.
What is the InChIKey of 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is GXMLHNGAVHJPES-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-15(19)21-17(20-13)18(2)9-6-10-22(18)16(23)12-24-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H2,19,20,21)/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone?
1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 326.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 95848343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).