3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline

C13H14ClN3O — CID 95928611

IUPAC3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline
SMILESCCc1c(C)nc(Cl)nc1Oc1cccc(N)c1
InChIInChI=1S/C13H14ClN3O/c1-3-11-8(2)16-13(14)17-12(11)18-10-6-4-5-9(15)7-10/h4-7H,3,15H2,1-2H3
InChIKeyRYPNSWORWTULBS-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.38
Rot. Bonds3

About 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline

3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline (PubChem CID 95928611) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline
PubChem CID95928611
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline
SMILESCCc1c(C)nc(Cl)nc1Oc1cccc(N)c1
InChIInChI=1S/C13H14ClN3O/c1-3-11-8(2)16-13(14)17-12(11)18-10-6-4-5-9(15)7-10/h4-7H,3,15H2,1-2H3
InChIKeyRYPNSWORWTULBS-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395
3-(5-amino-2-chloro-6-methylpyrimidin-4-yl)oxybenzonitrile
CID 114044085
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
3-(2-chloro-6-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 95928679
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
3-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63591311
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
3-[2-[(3-aminophenyl)sulfonylamino]-6-chloro-5-ethylpyrimidin-4-yl]oxybenzoic acid
CID 163243026
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline (CID 95928611) is 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline is CCc1c(C)nc(Cl)nc1Oc1cccc(N)c1.
What is the InChIKey of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline?
The InChIKey is RYPNSWORWTULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-11-8(2)16-13(14)17-12(11)18-10-6-4-5-9(15)7-10/h4-7H,3,15H2,1-2H3.
What are the key properties of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline?
3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline has a molecular weight of 263.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 95928611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).