2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

C84H112N16O8 — CID 158084949

IUPAC2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@@H]2Cc2ccccc2)n1.C[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@H]2Cc2ccccc2)n1.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@@H]3Cc3ccccc3)n2)[C@H]1C.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@H]3Cc3ccccc3)n2)[C@H]1C
InChIInChI=1S/4C21H28N4O2/c4*1-15-16(2)27-12-11-24(15)19-14-20(26)23-21(22-19)25-10-6-9-18(25)13-17-7-4-3-5-8-17/h4*3-5,7-8,14-16,18H,6,9-13H2,1-2H3,(H,22,23,26)/t15-,16+,18+;15-,16+,18-;15-,16-,18+;15-,16-,18-/m0011/s1
InChIKeyFNKBVPJSHZPYEG-ZHAFUOBRSA-N
MW1473.92 g/mol
LogP10.38
Rot. Bonds16

About 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one

2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 158084949) has the molecular formula C84H112N16O8 and a molecular weight of 1473.92 g/mol. Its IUPAC name is 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID158084949
Molecular FormulaC84H112N16O8
Molecular Weight1473.92 g/mol
Exact Mass1472.88
IUPAC Name2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@@H]2Cc2ccccc2)n1.C[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@H]2Cc2ccccc2)n1.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@@H]3Cc3ccccc3)n2)[C@H]1C.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@H]3Cc3ccccc3)n2)[C@H]1C
InChIInChI=1S/4C21H28N4O2/c4*1-15-16(2)27-12-11-24(15)19-14-20(26)23-21(22-19)25-10-6-9-18(25)13-17-7-4-3-5-8-17/h4*3-5,7-8,14-16,18H,6,9-13H2,1-2H3,(H,22,23,26)/t15-,16+,18+;15-,16+,18-;15-,16-,18+;15-,16-,18-/m0011/s1
InChIKeyFNKBVPJSHZPYEG-ZHAFUOBRSA-N
XLogP10.38
TPSA245.84 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.92
LogP ≤ 510.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 158084949) is 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is C[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@@H]2Cc2ccccc2)n1.C[C@@H]1[C@@H](C)OCCN1c1cc(=O)[nH]c(N2CCC[C@H]2Cc2ccccc2)n1.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@@H]3Cc3ccccc3)n2)[C@H]1C.C[C@H]1OCCN(c2cc(=O)[nH]c(N3CCC[C@H]3Cc3ccccc3)n2)[C@H]1C.
What is the InChIKey of 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is FNKBVPJSHZPYEG-ZHAFUOBRSA-N. The full InChI is InChI=1S/4C21H28N4O2/c4*1-15-16(2)27-12-11-24(15)19-14-20(26)23-21(22-19)25-10-6-9-18(25)13-17-7-4-3-5-8-17/h4*3-5,7-8,14-16,18H,6,9-13H2,1-2H3,(H,22,23,26)/t15-,16+,18+;15-,16+,18-;15-,16-,18+;15-,16-,18-/m0011/s1.
What are the key properties of 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one?
2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 1473.92 g/mol, XLogP of 10.38, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 158084949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).