4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine

C12H16ClFN2O2 — CID 116746038

IUPAC4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCCOC1(c2nc(C)c(F)c(Cl)n2)CCOCC1
InChIInChI=1S/C12H16ClFN2O2/c1-3-18-12(4-6-17-7-5-12)11-15-8(2)9(14)10(13)16-11/h3-7H2,1-2H3
InChIKeyPLFSYLBUCQUMCF-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 116746038) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
PubChem CID116746038
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCCOC1(c2nc(C)c(F)c(Cl)n2)CCOCC1
InChIInChI=1S/C12H16ClFN2O2/c1-3-18-12(4-6-17-7-5-12)11-15-8(2)9(14)10(13)16-11/h3-7H2,1-2H3
InChIKeyPLFSYLBUCQUMCF-UHFFFAOYSA-N
XLogP2.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
CID 116746144
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470638
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine (CID 116746038) is 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine is CCOC1(c2nc(C)c(F)c(Cl)n2)CCOCC1.
What is the InChIKey of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is PLFSYLBUCQUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-3-18-12(4-6-17-7-5-12)11-15-8(2)9(14)10(13)16-11/h3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 274.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 116746038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).