2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C9H10N4O3 — CID 101246070

IUPAC2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCOCn1c(N)nc2[nH]cc(C=O)c2c1=O
InChIInChI=1S/C9H10N4O3/c1-16-4-13-8(15)6-5(3-14)2-11-7(6)12-9(13)10/h2-3,11H,4H2,1H3,(H2,10,12)
InChIKeyJRPAUTUAQOZOOC-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.28
Rot. Bonds3

About 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 101246070) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID101246070
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCOCn1c(N)nc2[nH]cc(C=O)c2c1=O
InChIInChI=1S/C9H10N4O3/c1-16-4-13-8(15)6-5(3-14)2-11-7(6)12-9(13)10/h2-3,11H,4H2,1H3,(H2,10,12)
InChIKeyJRPAUTUAQOZOOC-UHFFFAOYSA-N
XLogP-0.28
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 101246070) is 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is COCn1c(N)nc2[nH]cc(C=O)c2c1=O.
What is the InChIKey of 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is JRPAUTUAQOZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-16-4-13-8(15)6-5(3-14)2-11-7(6)12-9(13)10/h2-3,11H,4H2,1H3,(H2,10,12).
What are the key properties of 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 222.20 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methoxymethyl)-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 101246070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).