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

C10H15N3O2 — CID 136941276

IUPAC2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCCOCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-2-3-15-6-9-12-8-5-11-4-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyHUFFPPRYOBBIHN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.30
Rot. Bonds4

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

2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941276) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941276
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCCOCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-2-3-15-6-9-12-8-5-11-4-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyHUFFPPRYOBBIHN-UHFFFAOYSA-N
XLogP0.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136842552
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-[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
2-(ethoxymethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136233876
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
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
2-(aminomethyl)-6-ethyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136316620

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941276) is 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CCCOCc1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is HUFFPPRYOBBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-3-15-6-9-12-8-5-11-4-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).