2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H26N4O — CID 137108572

IUPAC2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C1CC(C)(C)NC(C)(C)C1)C2
InChIInChI=1S/C16H26N4O/c1-10-17-13-9-20(8-12(13)14(21)18-10)11-6-15(2,3)19-16(4,5)7-11/h11,19H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyPMMXKAUZKAAEAH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.70
Rot. Bonds1

About 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 137108572) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID137108572
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C1CC(C)(C)NC(C)(C)C1)C2
InChIInChI=1S/C16H26N4O/c1-10-17-13-9-20(8-12(13)14(21)18-10)11-6-15(2,3)19-16(4,5)7-11/h11,19H,6-9H2,1-5H3,(H,17,18,21)
InChIKeyPMMXKAUZKAAEAH-UHFFFAOYSA-N
XLogP1.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide formate
CID 119060976
6-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135990815
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217041
6-(1-ethyl-3-methylpiperidine-3-carbonyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136263336
2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136822754
2-methyl-6-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136822755
2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831941
2-methyl-6-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831942
2-[(1,4-Dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941394
2-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941397
2-(1,4-Dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 137108572) is 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C1CC(C)(C)NC(C)(C)C1)C2.
What is the InChIKey of 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is PMMXKAUZKAAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10-17-13-9-20(8-12(13)14(21)18-10)11-6-15(2,3)19-16(4,5)7-11/h11,19H,6-9H2,1-5H3,(H,17,18,21).
What are the key properties of 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).