2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine

C8H10ClFN2O — CID 58252170

IUPAC2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine
SMILESCCCc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C8H10ClFN2O/c1-3-4-5-6(10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyLNTUSIUKENIYIA-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine

2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine (PubChem CID 58252170) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine
PubChem CID58252170
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine
SMILESCCCc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C8H10ClFN2O/c1-3-4-5-6(10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyLNTUSIUKENIYIA-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine 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-chloro-5-fluoro-4-methoxy-6-propylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine (CID 58252170) is 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine is CCCc1nc(Cl)nc(OC)c1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine?
The InChIKey is LNTUSIUKENIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-3-4-5-6(10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine?
2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine has a molecular weight of 204.63 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methoxy-6-propylpyrimidine is sourced from PubChem (CID 58252170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).