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

C9H13N3O2 — CID 136941226

IUPAC2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C9H13N3O2/c1-14-3-2-8-11-7-5-10-4-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyADTHVILVECXMKP-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.44
Rot. Bonds3

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

2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941226) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941226
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C9H13N3O2/c1-14-3-2-8-11-7-5-10-4-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyADTHVILVECXMKP-UHFFFAOYSA-N
XLogP-0.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo(3,4-d)pyrimidin-4-one dihydrochloride hydrate
CID 75530977
2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol dihydrochloride
CID 137171590
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
2-Cyclopropyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108516
2-fluoroethyl 2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136558265
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136842552
2-(3,3,3-Trifluoropropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941293
2-(2,2,2-Trifluoroethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941432
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137012999
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941226) is 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COCCc1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is ADTHVILVECXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-3-2-8-11-7-5-10-4-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).