4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine

C15H16ClFN2O — CID 107169178

IUPAC4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H16ClFN2O/c1-4-5-13-18-14(16)10(3)15(19-13)20-11-7-6-9(2)12(17)8-11/h6-8H,4-5H2,1-3H3
InChIKeyYBTVUMHFXXAKBA-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.63
Rot. Bonds4

About 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine

4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine (PubChem CID 107169178) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
PubChem CID107169178
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C15H16ClFN2O/c1-4-5-13-18-14(16)10(3)15(19-13)20-11-7-6-9(2)12(17)8-11/h6-8H,4-5H2,1-3H3
InChIKeyYBTVUMHFXXAKBA-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
2-tert-butyl-4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methylpyrimidine
CID 107169151
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988630
6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991039
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
4-chloro-6-(4-chloro-3-fluorophenoxy)-2,5-dimethylpyrimidine
CID 82716251
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine (CID 107169178) is 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine?
The InChIKey is YBTVUMHFXXAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-4-5-13-18-14(16)10(3)15(19-13)20-11-7-6-9(2)12(17)8-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine?
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine has a molecular weight of 294.76 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 107169178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).