(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one

C16H18N4O3 — CID 125131229

IUPAC(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCOc1ccnc(N[C@@H]2CCN(c3ccccc3OC)C2=O)n1
InChIInChI=1S/C16H18N4O3/c1-22-13-6-4-3-5-12(13)20-10-8-11(15(20)21)18-16-17-9-7-14(19-16)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyWCVBSYKWRBDDSH-LLVKDONJSA-N
MW314.35 g/mol
LogP1.71
Rot. Bonds5

About (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one

(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one (PubChem CID 125131229) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
PubChem CID125131229
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESCOc1ccnc(N[C@@H]2CCN(c3ccccc3OC)C2=O)n1
InChIInChI=1S/C16H18N4O3/c1-22-13-6-4-3-5-12(13)20-10-8-11(15(20)21)18-16-17-9-7-14(19-16)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyWCVBSYKWRBDDSH-LLVKDONJSA-N
XLogP1.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
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CID 133491151
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576
1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
CID 167951808
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
CID 154746706
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one (CID 125131229) is (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one is COc1ccnc(N[C@@H]2CCN(c3ccccc3OC)C2=O)n1.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is WCVBSYKWRBDDSH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-13-6-4-3-5-12(13)20-10-8-11(15(20)21)18-16-17-9-7-14(19-16)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one?
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 314.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 125131229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).