(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one

C23H20N4O3 — CID 162628924

IUPAC(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C23H20N4O3/c28-19-14-30-21(20(26-19)15-7-3-1-4-8-15)23(29)27-12-17-11-24-22(25-18(17)13-27)16-9-5-2-6-10-16/h1-11,20-21H,12-14H2,(H,26,28)/t20-,21+/m1/s1
InChIKeyGOVGQJJTQSNJSZ-RTWAWAEBSA-N
MW400.44 g/mol
LogP2.24
Rot. Bonds3

About (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one

(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one (PubChem CID 162628924) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
PubChem CID162628924
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C23H20N4O3/c28-19-14-30-21(20(26-19)15-7-3-1-4-8-15)23(29)27-12-17-11-24-22(25-18(17)13-27)16-9-5-2-6-10-16/h1-11,20-21H,12-14H2,(H,26,28)/t20-,21+/m1/s1
InChIKeyGOVGQJJTQSNJSZ-RTWAWAEBSA-N
XLogP2.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
CID 136983025
2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 72937112
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134698928
N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
CID 56748005
4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one
CID 170510547

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one (CID 162628924) is (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one is O=C1CO[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one?
The InChIKey is GOVGQJJTQSNJSZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-19-14-30-21(20(26-19)15-7-3-1-4-8-15)23(29)27-12-17-11-24-22(25-18(17)13-27)16-9-5-2-6-10-16/h1-11,20-21H,12-14H2,(H,26,28)/t20-,21+/m1/s1.
What are the key properties of (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one?
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one has a molecular weight of 400.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one is sourced from PubChem (CID 162628924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).