3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C19H22N4O4 — CID 74753924

IUPAC3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCN1C=C(C(=O)N2CCOCC2)C2NC(=O)N(Cc3ccccc3)C(=O)C21
InChIInChI=1S/C19H22N4O4/c1-21-12-14(17(24)22-7-9-27-10-8-22)15-16(21)18(25)23(19(26)20-15)11-13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,20,26)
InChIKeyRXCWRMPEWDTGSP-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.16
Rot. Bonds3

About 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 74753924) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID74753924
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCN1C=C(C(=O)N2CCOCC2)C2NC(=O)N(Cc3ccccc3)C(=O)C21
InChIInChI=1S/C19H22N4O4/c1-21-12-14(17(24)22-7-9-27-10-8-22)15-16(21)18(25)23(19(26)20-15)11-13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,20,26)
InChIKeyRXCWRMPEWDTGSP-UHFFFAOYSA-N
XLogP0.16
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 74753924) is 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CN1C=C(C(=O)N2CCOCC2)C2NC(=O)N(Cc3ccccc3)C(=O)C21.
What is the InChIKey of 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RXCWRMPEWDTGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-12-14(17(24)22-7-9-27-10-8-22)15-16(21)18(25)23(19(26)20-15)11-13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,20,26).
What are the key properties of 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-7-(morpholine-4-carbonyl)-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 74753924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).