1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one

C17H20N4O3 — CID 154746706

IUPAC1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(NCc2cncnc2OC)C1=O
InChIInChI=1S/C17H20N4O3/c1-23-15-6-4-3-5-14(15)21-8-7-13(17(21)22)19-10-12-9-18-11-20-16(12)24-2/h3-6,9,11,13,19H,7-8,10H2,1-2H3
InChIKeyMANGMSFISSMFHY-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.39
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one

1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one (PubChem CID 154746706) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
PubChem CID154746706
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(NCc2cncnc2OC)C1=O
InChIInChI=1S/C17H20N4O3/c1-23-15-6-4-3-5-14(15)21-8-7-13(17(21)22)19-10-12-9-18-11-20-16(12)24-2/h3-6,9,11,13,19H,7-8,10H2,1-2H3
InChIKeyMANGMSFISSMFHY-UHFFFAOYSA-N
XLogP1.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]ethyl]phthalazin-1-one
CID 167781051
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
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(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 124556757
3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
1-(2-methoxyphenyl)-3-[(6-propan-2-yloxypyrazin-2-yl)amino]pyrrolidin-2-one
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1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one (CID 154746706) is 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one is COc1ccccc1N1CCC(NCc2cncnc2OC)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The InChIKey is MANGMSFISSMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-6-4-3-5-14(15)21-8-7-13(17(21)22)19-10-12-9-18-11-20-16(12)24-2/h3-6,9,11,13,19H,7-8,10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 154746706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).