2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C18H28N4O2 — CID 72924319

IUPAC2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CC1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H28N4O2/c1-12(2)21-7-5-14(6-8-21)9-17(23)22-10-15-16(11-22)19-13(3)20(4)18(15)24/h12,14H,5-11H2,1-4H3
InChIKeyRDXKIXXJIKLPGH-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.44
Rot. Bonds3

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

2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72924319) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72924319
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CC1CCN(C(C)C)CC1)C2
InChIInChI=1S/C18H28N4O2/c1-12(2)21-7-5-14(6-8-21)9-17(23)22-10-15-16(11-22)19-13(3)20(4)18(15)24/h12,14H,5-11H2,1-4H3
InChIKeyRDXKIXXJIKLPGH-UHFFFAOYSA-N
XLogP1.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.44
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
2,3-dimethyl-6-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72871662
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-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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72924319) is 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)CC1CCN(C(C)C)CC1)C2.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is RDXKIXXJIKLPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)21-7-5-14(6-8-21)9-17(23)22-10-15-16(11-22)19-13(3)20(4)18(15)24/h12,14H,5-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.44, 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-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).