2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide

C19H22N4O3 — CID 57392734

IUPAC2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCn1c(=O)c2c(ccn2CC(=O)NCCCc2ccccc2)n(C)c1=O
InChIInChI=1S/C19H22N4O3/c1-21-15-10-12-23(17(15)18(25)22(2)19(21)26)13-16(24)20-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,20,24)
InChIKeySIUIORNDRLRRIQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.79
Rot. Bonds6

About 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide

2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 57392734) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
PubChem CID57392734
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCn1c(=O)c2c(ccn2CC(=O)NCCCc2ccccc2)n(C)c1=O
InChIInChI=1S/C19H22N4O3/c1-21-15-10-12-23(17(15)18(25)22(2)19(21)26)13-16(24)20-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,20,24)
InChIKeySIUIORNDRLRRIQ-UHFFFAOYSA-N
XLogP0.79
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CI 1044
CID 9843744
Peldesine
CID 135413525
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
3-{7-Fluoro-4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-(2-phenylethyl)propanamide
CID 16017974
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
Niprofazone
CID 65619
3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11280247
N-(4-Ethylphenyl)-2-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}acetamide
CID 16018022
6-{[(4-chlorophenyl)amino]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 2133493
1,3-dimethyl-5-(3-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663643
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664394

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide (CID 57392734) is 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide is Cn1c(=O)c2c(ccn2CC(=O)NCCCc2ccccc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is SIUIORNDRLRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-21-15-10-12-23(17(15)18(25)22(2)19(21)26)13-16(24)20-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3,(H,20,24).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide?
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 57392734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).