2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide

C19H22N4O4 — CID 42649517

IUPAC2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCCCc1ccccc1)C(=O)N2
InChIInChI=1S/C19H22N4O4/c1-22-16-15(18(26)23(2)19(22)27)13(17(25)21-16)11-14(24)20-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIDMBLMXPBPFRJZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.26
Rot. Bonds6

About 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide

2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 42649517) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
PubChem CID42649517
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCCCc1ccccc1)C(=O)N2
InChIInChI=1S/C19H22N4O4/c1-22-16-15(18(26)23(2)19(22)27)13(17(25)21-16)11-14(24)20-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyIDMBLMXPBPFRJZ-UHFFFAOYSA-N
XLogP0.26
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4784701
N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide
CID 42906113
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
CID 110703494
2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
CID 74925241
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 42234728
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
1-methyl-5-oxo-N-(3-phenylpropyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849803

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide (CID 42649517) is 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide is Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCCCc1ccccc1)C(=O)N2.
What is the InChIKey of 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is IDMBLMXPBPFRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-16-15(18(26)23(2)19(22)27)13(17(25)21-16)11-14(24)20-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 42649517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).