1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine

C13H15N3O — CID 16643300

IUPAC1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
SMILESCc1cc(Oc2ccc(C(C)N)cc2)ncn1
InChIInChI=1S/C13H15N3O/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14/h3-8,10H,14H2,1-2H3
InChIKeyVKOYCMHJBFQKOF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine

1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine (PubChem CID 16643300) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
PubChem CID16643300
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
SMILESCc1cc(Oc2ccc(C(C)N)cc2)ncn1
InChIInChI=1S/C13H15N3O/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14/h3-8,10H,14H2,1-2H3
InChIKeyVKOYCMHJBFQKOF-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
1-[2-methoxy-4-(6-methylpyrimidin-4-yl)oxyphenyl]propan-2-amine
CID 16643303
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
CID 60726025
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
CID 69194647
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
CID 91179708
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709110
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine (CID 16643300) is 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine is Cc1cc(Oc2ccc(C(C)N)cc2)ncn1.
What is the InChIKey of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
The InChIKey is VKOYCMHJBFQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-13(16-8-15-9)17-12-5-3-11(4-6-12)10(2)14/h3-8,10H,14H2,1-2H3.
What are the key properties of 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine?
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 16643300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).