2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde

C10H11Cl2N3O2 — CID 90426047

IUPAC2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(Cl)nc1NC1CCOCC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-7(5-16)9(15-10(12)14-8)13-6-1-3-17-4-2-6/h5-6H,1-4H2,(H,13,14,15)
InChIKeyUDFKOSBGJYEDGE-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.19
Rot. Bonds3

About 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde

2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde (PubChem CID 90426047) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
PubChem CID90426047
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(Cl)nc1NC1CCOCC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-7(5-16)9(15-10(12)14-8)13-6-1-3-17-4-2-6/h5-6H,1-4H2,(H,13,14,15)
InChIKeyUDFKOSBGJYEDGE-UHFFFAOYSA-N
XLogP2.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-(oxan-4-ylamino)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 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde (CID 90426047) is 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(Cl)nc1NC1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde?
The InChIKey is UDFKOSBGJYEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-8-7(5-16)9(15-10(12)14-8)13-6-1-3-17-4-2-6/h5-6H,1-4H2,(H,13,14,15).
What are the key properties of 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde?
2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde has a molecular weight of 276.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(oxan-4-ylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 90426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).