1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C21H26N4O3 — CID 664736

IUPAC1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C21H26N4O3/c1-22-17-15-25(10-6-9-24-11-13-28-14-12-24)19(16-7-4-3-5-8-16)18(17)20(26)23(2)21(22)27/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyZFCGDPQASUVSQZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.43
Rot. Bonds5

About 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 664736) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID664736
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C21H26N4O3/c1-22-17-15-25(10-6-9-24-11-13-28-14-12-24)19(16-7-4-3-5-8-16)18(17)20(26)23(2)21(22)27/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKeyZFCGDPQASUVSQZ-UHFFFAOYSA-N
XLogP1.43
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
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
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664496
6-(3,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665353
1,3,10-trimethylpyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
CID 753710
3,9,11-trimethylpyrimido[5',4':3,4]pyrrolo[2,1-a]isoquinoline-10,12(9H,11H)-dione
CID 937357
6-Benzyl-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1992652
ethyl 4-[3-oxo-1-(pyridin-3-ylamino)-1H-isoindol-2-yl]piperidine-1-carboxylate
CID 5308211
3-(3-hydroxypropyl)-5-isopentyl-6-(2-isopropylphenyl)-1-methylpyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
CID 118875025
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 134340807

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 664736) is 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ZFCGDPQASUVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-17-15-25(10-6-9-24-11-13-28-14-12-24)19(16-7-4-3-5-8-16)18(17)20(26)23(2)21(22)27/h3-5,7-8,15H,6,9-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 664736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).