6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine

C13H13ClFN3O — CID 82718288

IUPAC6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Cl)c(F)c2)nc(C)n1
InChIInChI=1S/C13H13ClFN3O/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyVUONKZJSIOSDIO-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.80
Rot. Bonds4

About 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine

6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 82718288) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID82718288
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Cl)c(F)c2)nc(C)n1
InChIInChI=1S/C13H13ClFN3O/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyVUONKZJSIOSDIO-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
CID 80880083
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine (CID 82718288) is 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(Oc2ccc(Cl)c(F)c2)nc(C)n1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is VUONKZJSIOSDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine?
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 82718288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).