4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C14H21N3O4 — CID 91831533

IUPAC4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(Cc2nc(OC)cc(OC)n2)CC1=O
InChIInChI=1S/C14H21N3O4/c1-19-5-4-17-9-10(7-14(17)18)6-11-15-12(20-2)8-13(16-11)21-3/h8,10H,4-7,9H2,1-3H3
InChIKeyYYKYEVZTCHLGMU-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.53
Rot. Bonds7

About 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91831533) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91831533
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(Cc2nc(OC)cc(OC)n2)CC1=O
InChIInChI=1S/C14H21N3O4/c1-19-5-4-17-9-10(7-14(17)18)6-11-15-12(20-2)8-13(16-11)21-3/h8,10H,4-7,9H2,1-3H3
InChIKeyYYKYEVZTCHLGMU-UHFFFAOYSA-N
XLogP0.53
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755480
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 91843390
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 124849414
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124750402
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
2-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5,6-dimethylpyridine-3-carboxamide
CID 124846696

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91831533) is 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(Cc2nc(OC)cc(OC)n2)CC1=O.
What is the InChIKey of 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is YYKYEVZTCHLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-19-5-4-17-9-10(7-14(17)18)6-11-15-12(20-2)8-13(16-11)21-3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 0.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91831533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).