6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde

C9H10ClN3O2 — CID 96602250

IUPAC6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde
SMILESCN1CCCn2c(Cl)nc(=O)c(C=O)c21
InChIInChI=1S/C9H10ClN3O2/c1-12-3-2-4-13-8(12)6(5-14)7(15)11-9(13)10/h5H,2-4H2,1H3
InChIKeyZOAVHIFQOBQVKV-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.55
Rot. Bonds1

About 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde

6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde (PubChem CID 96602250) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde
PubChem CID96602250
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde
SMILESCN1CCCn2c(Cl)nc(=O)c(C=O)c21
InChIInChI=1S/C9H10ClN3O2/c1-12-3-2-4-13-8(12)6(5-14)7(15)11-9(13)10/h5H,2-4H2,1H3
InChIKeyZOAVHIFQOBQVKV-UHFFFAOYSA-N
XLogP0.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-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 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The IUPAC name of 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde (CID 96602250) is 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde.
What is the SMILES notation for 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The canonical SMILES for 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde is CN1CCCn2c(Cl)nc(=O)c(C=O)c21.
What is the InChIKey of 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde?
The InChIKey is ZOAVHIFQOBQVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-12-3-2-4-13-8(12)6(5-14)7(15)11-9(13)10/h5H,2-4H2,1H3.
What are the key properties of 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde?
6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde has a molecular weight of 227.65 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-8-oxo-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidine-9-carbaldehyde is sourced from PubChem (CID 96602250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).