2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C17H26N4O2 — CID 72911102

IUPAC2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CCC1CCCN(C)C1)C2
InChIInChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)7-6-13-5-4-8-19(2)9-13/h13H,4-11H2,1-3H3
InChIKeySJYWDRDTITXZIG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.05
Rot. Bonds3

About 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72911102) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72911102
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CCC1CCCN(C)C1)C2
InChIInChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)7-6-13-5-4-8-19(2)9-13/h13H,4-11H2,1-3H3
InChIKeySJYWDRDTITXZIG-UHFFFAOYSA-N
XLogP1.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinyl}acetamide
CID 70756625
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinecarboxamide
CID 72851702
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-N,N-dimethyl-1-piperidinecarboxamide
CID 72870896
6-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873392
6-[(1-acetyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72887851
6-[(1-cyclopentyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72908888
2-methyl-6-[3-(1-methyl-3-piperidinyl)propanoyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136216733
2-methyl-6-{3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanoyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217038
6-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70756341
6-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72848870
2,3-Dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72868898
2,3-dimethyl-6-{3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanoyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72877883

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72911102) is 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)CCC1CCCN(C)C1)C2.
What is the InChIKey of 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SJYWDRDTITXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)7-6-13-5-4-8-19(2)9-13/h13H,4-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[3-(1-methylpiperidin-3-yl)propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72911102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).