2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C21H27N5O4 — CID 172666948

IUPAC2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C21H27N5O4/c1-14-4-5-25(7-6-24-8-10-30-11-9-24)20(28)18(14)21(29)26-12-16-17(13-26)22-15(2)23(3)19(16)27/h4-5H,6-13H2,1-3H3
InChIKeyFKTDHLIFMMCEIS-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.05
Rot. Bonds4

About 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 172666948) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID172666948
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1
InChIInChI=1S/C21H27N5O4/c1-14-4-5-25(7-6-24-8-10-30-11-9-24)20(28)18(14)21(29)26-12-16-17(13-26)22-15(2)23(3)19(16)27/h4-5H,6-13H2,1-3H3
InChIKeyFKTDHLIFMMCEIS-UHFFFAOYSA-N
XLogP0.05
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172660870
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664746
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669382
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664819
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
CID 175640604
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
6-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 70705934

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 172666948) is 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1.
What is the InChIKey of 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is FKTDHLIFMMCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-14-4-5-25(7-6-24-8-10-30-11-9-24)20(28)18(14)21(29)26-12-16-17(13-26)22-15(2)23(3)19(16)27/h4-5H,6-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172666948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).