3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C18H16N4O2 — CID 23731967

IUPAC3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC2=C(C(=O)N(c3ccccc3)C2)C1c1cccnc1
InChIInChI=1S/C18H16N4O2/c1-21-16(12-6-5-9-19-10-12)15-14(20-18(21)24)11-22(17(15)23)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,24)
InChIKeyUGFQQHCYPAYMIL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.08
Rot. Bonds2

About 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 23731967) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID23731967
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC2=C(C(=O)N(c3ccccc3)C2)C1c1cccnc1
InChIInChI=1S/C18H16N4O2/c1-21-16(12-6-5-9-19-10-12)15-14(20-18(21)24)11-22(17(15)23)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,24)
InChIKeyUGFQQHCYPAYMIL-UHFFFAOYSA-N
XLogP2.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 910589
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
CID 69430460
(4R)-1-methyl-4,6-diphenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 755556
(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135906159
(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 135817084
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
4-(1,3-benzodioxol-5-yl)-1-phenyl-3-pyridin-3-ylpiperazine-2,5-dione
CID 53188396
(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584260
(6R,9S)-2-methyl-6-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135557420
(6R,9S)-5-acetyl-9-phenyl-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1131888
(4S)-7,7-dimethyl-2-phenyl-4-pyridin-3-yl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 7119545
(4R)-7,7-dimethyl-2-phenyl-4-pyridin-3-yl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 7119546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 23731967) is 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC2=C(C(=O)N(c3ccccc3)C2)C1c1cccnc1.
What is the InChIKey of 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is UGFQQHCYPAYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-21-16(12-6-5-9-19-10-12)15-14(20-18(21)24)11-22(17(15)23)13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,20,24).
What are the key properties of 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-4-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 23731967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).