(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one

C20H24N4O — CID 95563902

IUPAC(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESO=C1C[C@@H](Nc2nccc(C3CCCC3)n2)CN1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-19-12-17(14-24(19)13-15-6-2-1-3-7-15)22-20-21-11-10-18(23-20)16-8-4-5-9-16/h1-3,6-7,10-11,16-17H,4-5,8-9,12-14H2,(H,21,22,23)/t17-/m1/s1
InChIKeyFBLDVJGUGWHXAG-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.35
Rot. Bonds5

About (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one

(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one (PubChem CID 95563902) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
PubChem CID95563902
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one
SMILESO=C1C[C@@H](Nc2nccc(C3CCCC3)n2)CN1Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-19-12-17(14-24(19)13-15-6-2-1-3-7-15)22-20-21-11-10-18(23-20)16-8-4-5-9-16/h1-3,6-7,10-11,16-17H,4-5,8-9,12-14H2,(H,21,22,23)/t17-/m1/s1
InChIKeyFBLDVJGUGWHXAG-QGZVFWFLSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
CID 154860377
4-[[2-(2-aminoethyl)quinazolin-4-yl]amino]-1-benzylpyrrolidin-2-one;hydrochloride
CID 154885877
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
[(3S,3aS,6S,6aS)-3-[(4-cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-benzylcarbamate
CID 163124923
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one (CID 95563902) is (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one is O=C1C[C@@H](Nc2nccc(C3CCCC3)n2)CN1Cc1ccccc1.
What is the InChIKey of (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one?
The InChIKey is FBLDVJGUGWHXAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19-12-17(14-24(19)13-15-6-2-1-3-7-15)22-20-21-11-10-18(23-20)16-8-4-5-9-16/h1-3,6-7,10-11,16-17H,4-5,8-9,12-14H2,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one?
(4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-[(4-cyclopentylpyrimidin-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95563902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).