[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine

C13H12F3N3O — CID 83189114

IUPAC[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1CN
InChIInChI=1S/C13H12F3N3O/c1-8-9(6-17)7-18-12(19-8)20-11-4-2-10(3-5-11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyGMBZGGGSJGKVNI-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.05
Rot. Bonds3

About [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine

[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine (PubChem CID 83189114) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
PubChem CID83189114
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
SMILESCc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1CN
InChIInChI=1S/C13H12F3N3O/c1-8-9(6-17)7-18-12(19-8)20-11-4-2-10(3-5-11)13(14,15)16/h2-5,7H,6,17H2,1H3
InChIKeyGMBZGGGSJGKVNI-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine (CID 83189114) is [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine is Cc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1CN.
What is the InChIKey of [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine?
The InChIKey is GMBZGGGSJGKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-9(6-17)7-18-12(19-8)20-11-4-2-10(3-5-11)13(14,15)16/h2-5,7H,6,17H2,1H3.
What are the key properties of [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine?
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).