2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine

C13H12ClFN2O — CID 79080786

IUPAC2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-4-8(2)9(3)11(5-7)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3
InChIKeyITWXNBWCKJMDCU-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine

2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine (PubChem CID 79080786) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine
PubChem CID79080786
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C13H12ClFN2O/c1-7-4-8(2)9(3)11(5-7)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3
InChIKeyITWXNBWCKJMDCU-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
5-[(4-Methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112763
5-[(4-Ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112764
5-(4-Cyclobutyl-2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 77844513
5-Fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine
CID 71681468
2-Chloro-5-methyl-4-phenoxypyrimidine
CID 59868882
5-(5-Ethynyl-4-fluoro-2-isopropyl-phenoxy)-pyrimidine-2,4-diamine
CID 16119618
5-(4-Fluoro-2-isopropyl-5-prop-1-ynyl-phenoxy)-pyrimidine-2,4-diamine
CID 57678429
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
5-Fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767
5-(2-Fluoro-6-methoxyphenyl)pyrimidine
CID 56715631
2-Chloro-4-phenoxy-5-(trifluoromethyl)pyrimidine
CID 145967653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine (CID 79080786) is 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine is Cc1cc(C)c(C)c(Oc2nc(Cl)ncc2F)c1.
What is the InChIKey of 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine?
The InChIKey is ITWXNBWCKJMDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-4-8(2)9(3)11(5-7)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine?
2-chloro-5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.99, 2 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-(2,3,5-trimethylphenoxy)pyrimidine is sourced from PubChem (CID 79080786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).