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

C13H18N4O — CID 121160689

IUPAC5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
SMILESCN1CC(CN2Cc3cncnc3C2)CCC1=O
InChIInChI=1S/C13H18N4O/c1-16-5-10(2-3-13(16)18)6-17-7-11-4-14-9-15-12(11)8-17/h4,9-10H,2-3,5-8H2,1H3
InChIKeyDSFIARSBTQBVKY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.66
Rot. Bonds2

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

5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one (PubChem CID 121160689) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
PubChem CID121160689
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
SMILESCN1CC(CN2Cc3cncnc3C2)CCC1=O
InChIInChI=1S/C13H18N4O/c1-16-5-10(2-3-13(16)18)6-17-7-11-4-14-9-15-12(11)8-17/h4,9-10H,2-3,5-8H2,1H3
InChIKeyDSFIARSBTQBVKY-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperidinyl)-
CID 3078701
6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(3-methyl-1-piperidinyl)-, monohydrochloride
CID 3078650
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
CID 3078652
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperidinyl)-, monohydrochloride
CID 3078654
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-ethyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078674
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperazinyl)-, monohydrochloride
CID 3078676
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-butyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078678
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
CID 3078680
N-[2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]acetamide
CID 56738945
N-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
CID 56740037
N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one (CID 121160689) is 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one is CN1CC(CN2Cc3cncnc3C2)CCC1=O.
What is the InChIKey of 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one?
The InChIKey is DSFIARSBTQBVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-5-10(2-3-13(16)18)6-17-7-11-4-14-9-15-12(11)8-17/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one?
5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 121160689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).