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

C18H18N4O2 — CID 90585410

IUPAC4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3Cc4cncnc4C3)CC2=O)cc1
InChIInChI=1S/C18H18N4O2/c1-12-2-4-15(5-3-12)22-9-13(6-17(22)23)18(24)21-8-14-7-19-11-20-16(14)10-21/h2-5,7,11,13H,6,8-10H2,1H3
InChIKeyWBNRDRSCNMXSNH-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.68
Rot. Bonds2

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

4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 90585410) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID90585410
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3Cc4cncnc4C3)CC2=O)cc1
InChIInChI=1S/C18H18N4O2/c1-12-2-4-15(5-3-12)22-9-13(6-17(22)23)18(24)21-8-14-7-19-11-20-16(14)10-21/h2-5,7,11,13H,6,8-10H2,1H3
InChIKeyWBNRDRSCNMXSNH-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 97354962
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 851670
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119638509
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 90585410) is 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3Cc4cncnc4C3)CC2=O)cc1.
What is the InChIKey of 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is WBNRDRSCNMXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-2-4-15(5-3-12)22-9-13(6-17(22)23)18(24)21-8-14-7-19-11-20-16(14)10-21/h2-5,7,11,13H,6,8-10H2,1H3.
What are the key properties of 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 322.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90585410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).