5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde

C8H7N3O — CID 118798182

IUPAC5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde
SMILESCc1c[nH]c2nc(C=O)ncc12
InChIInChI=1S/C8H7N3O/c1-5-2-10-8-6(5)3-9-7(4-12)11-8/h2-4H,1H3,(H,9,10,11)
InChIKeySQFXFEQBADAFDD-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.08
Rot. Bonds1

About 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde

5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde (PubChem CID 118798182) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde
PubChem CID118798182
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde
SMILESCc1c[nH]c2nc(C=O)ncc12
InChIInChI=1S/C8H7N3O/c1-5-2-10-8-6(5)3-9-7(4-12)11-8/h2-4H,1H3,(H,9,10,11)
InChIKeySQFXFEQBADAFDD-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123585773
3-methyl-2H-pyrazolo[4,3-d]pyrimidine-5-carbaldehyde
CID 169168986
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
6-isocyano-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58826660
2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 82652088
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
3-chloro-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 82654716
3,6-dimethyl-1H-indole-5-carbaldehyde
CID 59277534
6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 119085910
4-(methylamino)-5-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 150830634
N-(6-methoxy-3-methyl-1H-indol-7-yl)formamide
CID 145326207
CID 170788920
CID 170788920

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde?
The IUPAC name of 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde (CID 118798182) is 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde?
The canonical SMILES for 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde is Cc1c[nH]c2nc(C=O)ncc12.
What is the InChIKey of 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde?
The InChIKey is SQFXFEQBADAFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-2-10-8-6(5)3-9-7(4-12)11-8/h2-4H,1H3,(H,9,10,11).
What are the key properties of 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde?
5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 118798182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).