2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C12H19N3O2 — CID 136941249

IUPAC2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNC2)C(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9(17-4)10-14-8-6-13-5-7(8)11(16)15-10/h9,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyNQSPQKAKDKQYPZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.11
Rot. Bonds2

About 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941249) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941249
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNC2)C(C)(C)C
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9(17-4)10-14-8-6-13-5-7(8)11(16)15-10/h9,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyNQSPQKAKDKQYPZ-UHFFFAOYSA-N
XLogP1.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(2S)-2-methoxybutanoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137108613
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
2-tert-butyl-N-(2-methoxy-3,3-dimethylbutyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136226414
2-tert-butyl-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837246
2-tert-butyl-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837247
2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941135
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941166
2-(2-Methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941226
2-(3-Methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941235
2-(4-Methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941238
2-(1-Methoxy-2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941248
2-(3-Ethoxypentan-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941266

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941249) is 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CNC2)C(C)(C)C.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is NQSPQKAKDKQYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)9(17-4)10-14-8-6-13-5-7(8)11(16)15-10/h9,13H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).