1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one

C17H19N5O3 — CID 86264561

IUPAC1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1=O
InChIInChI=1S/C17H19N5O3/c1-20-4-2-3-13(15(20)23)16(24)22-10-12-9-18-17(19-14(12)11-22)21-5-7-25-8-6-21/h2-4,9H,5-8,10-11H2,1H3
InChIKeyMVHDIZPXODSFLV-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.17
Rot. Bonds2

About 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one

1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one (PubChem CID 86264561) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one
PubChem CID86264561
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one
SMILESCn1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1=O
InChIInChI=1S/C17H19N5O3/c1-20-4-2-3-13(15(20)23)16(24)22-10-12-9-18-17(19-14(12)11-22)21-5-7-25-8-6-21/h2-4,9H,5-8,10-11H2,1H3
InChIKeyMVHDIZPXODSFLV-UHFFFAOYSA-N
XLogP0.17
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one (CID 86264561) is 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one is Cn1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1=O.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one?
The InChIKey is MVHDIZPXODSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-20-4-2-3-13(15(20)23)16(24)22-10-12-9-18-17(19-14(12)11-22)21-5-7-25-8-6-21/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one?
1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one has a molecular weight of 341.37 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyridin-2-one is sourced from PubChem (CID 86264561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).