2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde

C10H12F2N2O2 — CID 103150698

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H12F2N2O2/c1-7-4-8(5-15)14-10(13-7)2-3-16-6-9(11)12/h4-5,9H,2-3,6H2,1H3
InChIKeyODUYQPNEZRSMNA-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde

2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde (PubChem CID 103150698) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde
PubChem CID103150698
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H12F2N2O2/c1-7-4-8(5-15)14-10(13-7)2-3-16-6-9(11)12/h4-5,9H,2-3,6H2,1H3
InChIKeyODUYQPNEZRSMNA-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-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-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde (CID 103150698) is 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(CCOCC(F)F)n1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is ODUYQPNEZRSMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-7-4-8(5-15)14-10(13-7)2-3-16-6-9(11)12/h4-5,9H,2-3,6H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde?
2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 230.21 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 103150698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).