3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane

C10H15N3O3 — CID 178137629

IUPAC3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane
SMILESCOC.Nc1cnc2n(c1=O)C(C=O)CC2
InChIInChI=1S/C8H9N3O2.C2H6O/c9-6-3-10-7-2-1-5(4-12)11(7)8(6)13;1-3-2/h3-5H,1-2,9H2;1-2H3
InChIKeyOMZUTFAOPBCFHG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.23
Rot. Bonds1

About 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane

3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane (PubChem CID 178137629) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane.

Molecular Properties

Compound Name3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane
PubChem CID178137629
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane
SMILESCOC.Nc1cnc2n(c1=O)C(C=O)CC2
InChIInChI=1S/C8H9N3O2.C2H6O/c9-6-3-10-7-2-1-5(4-12)11(7)8(6)13;1-3-2/h3-5H,1-2,9H2;1-2H3
InChIKeyOMZUTFAOPBCFHG-UHFFFAOYSA-N
XLogP-0.23
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane with MolForge

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Related Compounds

6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 54424101
(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
(6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde
CID 117971398
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 140657439
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
methyl 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178137597
methyl (6S)-3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 178137780
3-bromo-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane
CID 178138587
methyl (6S)-3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylate;molecular hydrogen
CID 178138988
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde
CID 178137630

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane?
The IUPAC name of 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane (CID 178137629) is 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane.
What is the SMILES notation for 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane?
The canonical SMILES for 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane is COC.Nc1cnc2n(c1=O)C(C=O)CC2.
What is the InChIKey of 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane?
The InChIKey is OMZUTFAOPBCFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.C2H6O/c9-6-3-10-7-2-1-5(4-12)11(7)8(6)13;1-3-2/h3-5H,1-2,9H2;1-2H3.
What are the key properties of 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane?
3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane has a molecular weight of 225.25 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane is sourced from PubChem (CID 178137629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).