6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde

C8H9N3O2 — CID 83862948

IUPAC6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
SMILESCN1Cc2[nH]c(=O)nc(C=O)c2C1
InChIInChI=1S/C8H9N3O2/c1-11-2-5-6(3-11)9-8(13)10-7(5)4-12/h4H,2-3H2,1H3,(H,9,10,13)
InChIKeyGEBRTNSNPJSYNR-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.47
Rot. Bonds1

About 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde

6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde (PubChem CID 83862948) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
PubChem CID83862948
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde
SMILESCN1Cc2[nH]c(=O)nc(C=O)c2C1
InChIInChI=1S/C8H9N3O2/c1-11-2-5-6(3-11)9-8(13)10-7(5)4-12/h4H,2-3H2,1H3,(H,9,10,13)
InChIKeyGEBRTNSNPJSYNR-UHFFFAOYSA-N
XLogP-0.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 83862944
6-methyl-4-(methylamino)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-2-one
CID 83862269
2-oxo-5,6,8,9-tetrahydro-1H-oxepino[4,5-d]pyrimidine-4-carbaldehyde
CID 83862991
2-oxo-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-carbaldehyde
CID 83871751
6-methyl-2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde
CID 83871725
6-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carbaldehyde
CID 83870771
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
CID 83863028
3,5-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-one
CID 122435314
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carbaldehyde
CID 83862997

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde (CID 83862948) is 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde is CN1Cc2[nH]c(=O)nc(C=O)c2C1.
What is the InChIKey of 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
The InChIKey is GEBRTNSNPJSYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-11-2-5-6(3-11)9-8(13)10-7(5)4-12/h4H,2-3H2,1H3,(H,9,10,13).
What are the key properties of 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde?
6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde has a molecular weight of 179.18 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83862948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).