[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

C14H14F3N3O — CID 115468322

IUPAC[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C14H14F3N3O/c1-8-5-13(20-9(2)19-8)21-12-4-3-10(7-18)6-11(12)14(15,16)17/h3-6H,7,18H2,1-2H3
InChIKeyJCKVTHZXCPJYMV-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.36
Rot. Bonds3

About [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine

[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115468322) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
PubChem CID115468322
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Oc2ccc(CN)cc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C14H14F3N3O/c1-8-5-13(20-9(2)19-8)21-12-4-3-10(7-18)6-11(12)14(15,16)17/h3-6H,7,18H2,1-2H3
InChIKeyJCKVTHZXCPJYMV-UHFFFAOYSA-N
XLogP3.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine (CID 115468322) is [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is Cc1cc(Oc2ccc(CN)cc2C(F)(F)F)nc(C)n1.
What is the InChIKey of [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JCKVTHZXCPJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-5-13(20-9(2)19-8)21-12-4-3-10(7-18)6-11(12)14(15,16)17/h3-6H,7,18H2,1-2H3.
What are the key properties of [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine?
[4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidin-4-yl)oxy-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115468322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).