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

C19H20N4O2 — CID 97354962

IUPAC(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1C
InChIInChI=1S/C19H20N4O2/c1-12-3-4-16(5-13(12)2)23-9-14(6-18(23)24)19(25)22-8-15-7-20-11-21-17(15)10-22/h3-5,7,11,14H,6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQICJWACYCTWRDI-AWEZNQCLSA-N
MW336.40 g/mol
LogP1.99
Rot. Bonds2

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

(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 97354962) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID97354962
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1C
InChIInChI=1S/C19H20N4O2/c1-12-3-4-16(5-13(12)2)23-9-14(6-18(23)24)19(25)22-8-15-7-20-11-21-17(15)10-22/h3-5,7,11,14H,6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyQICJWACYCTWRDI-AWEZNQCLSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 90585410
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
(4S)-4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 129357381
4-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 122345384

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 97354962) is (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](C(=O)N3Cc4cncnc4C3)CC2=O)cc1C.
What is the InChIKey of (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is QICJWACYCTWRDI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-3-4-16(5-13(12)2)23-9-14(6-18(23)24)19(25)22-8-15-7-20-11-21-17(15)10-22/h3-5,7,11,14H,6,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
(4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 97354962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).