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

C8H11N3O2 — CID 136941275

IUPAC2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C8H11N3O2/c1-13-4-7-10-6-3-9-2-5(6)8(12)11-7/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyDDOYXRZDJKRCGV-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.48
Rot. Bonds2

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

2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941275) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941275
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C8H11N3O2/c1-13-4-7-10-6-3-9-2-5(6)8(12)11-7/h9H,2-4H2,1H3,(H,10,11,12)
InChIKeyDDOYXRZDJKRCGV-UHFFFAOYSA-N
XLogP-0.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
6-[(2S)-2-methoxybutanoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137108613
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-(2,2,2-Trifluoroethoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890510
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890511
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517
2-(methoxymethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136140595
2-Ethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108512
2-Propyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108518
2-Methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one dihydrochloride dihydrate
CID 136237222
5-(aminomethyl)-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136308235
methyl 2-(aminomethyl)-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136311353

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941275) is 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COCc1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is DDOYXRZDJKRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-4-7-10-6-3-9-2-5(6)8(12)11-7/h9H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).