(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one

C21H24N4O2 — CID 95221109

IUPAC(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1=O
InChIInChI=1S/C21H24N4O2/c1-14(2)10-24-11-16(8-19(24)26)21(27)25-12-17-9-22-20(23-18(17)13-25)15-6-4-3-5-7-15/h3-7,9,14,16H,8,10-13H2,1-2H3/t16-/m1/s1
InChIKeyPPLSALYHSAXOSW-MRXNPFEDSA-N
MW364.45 g/mol
LogP2.49
Rot. Bonds4

About (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one

(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one (PubChem CID 95221109) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
PubChem CID95221109
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1=O
InChIInChI=1S/C21H24N4O2/c1-14(2)10-24-11-16(8-19(24)26)21(27)25-12-17-9-22-20(23-18(17)13-25)15-6-4-3-5-7-15/h3-7,9,14,16H,8,10-13H2,1-2H3/t16-/m1/s1
InChIKeyPPLSALYHSAXOSW-MRXNPFEDSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
CID 56748005
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 95205878
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350
1-(2-methylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 50983712
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37028876
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one (CID 95221109) is (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one is CC(C)CN1C[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1=O.
What is the InChIKey of (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one?
The InChIKey is PPLSALYHSAXOSW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)10-24-11-16(8-19(24)26)21(27)25-12-17-9-22-20(23-18(17)13-25)15-6-4-3-5-7-15/h3-7,9,14,16H,8,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one?
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95221109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).