2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C17H26N4O2 — CID 72926970

IUPAC2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C17H26N4O2/c1-11(2)20-7-5-13(6-8-20)16(22)21-9-14-15(10-21)18-12(3)19(4)17(14)23/h11,13H,5-10H2,1-4H3
InChIKeyOIPNCEVTDLMCNK-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.05
Rot. Bonds2

About 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72926970) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72926970
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(C)C)CC1)C2
InChIInChI=1S/C17H26N4O2/c1-11(2)20-7-5-13(6-8-20)16(22)21-9-14-15(10-21)18-12(3)19(4)17(14)23/h11,13H,5-10H2,1-4H3
InChIKeyOIPNCEVTDLMCNK-UHFFFAOYSA-N
XLogP1.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

Analyze 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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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
5-Propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
CID 10824393
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-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70766070
6-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70784289
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72926970) is 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCN(C(C)C)CC1)C2.
What is the InChIKey of 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OIPNCEVTDLMCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)20-7-5-13(6-8-20)16(22)21-9-14-15(10-21)18-12(3)19(4)17(14)23/h11,13H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(1-propan-2-ylpiperidine-4-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72926970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).