[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

C7H8F3N3O — CID 82395787

IUPAC[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1ncnc(C(F)(F)F)c1CN
InChIInChI=1S/C7H8F3N3O/c1-14-6-4(2-11)5(7(8,9)10)12-3-13-6/h3H,2,11H2,1H3
InChIKeyRBUDSLYQBIHUPU-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.96
Rot. Bonds2

About [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine

[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 82395787) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID82395787
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCOc1ncnc(C(F)(F)F)c1CN
InChIInChI=1S/C7H8F3N3O/c1-14-6-4(2-11)5(7(8,9)10)12-3-13-6/h3H,2,11H2,1H3
InChIKeyRBUDSLYQBIHUPU-UHFFFAOYSA-N
XLogP0.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 82395787) is [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is COc1ncnc(C(F)(F)F)c1CN.
What is the InChIKey of [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is RBUDSLYQBIHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-14-6-4(2-11)5(7(8,9)10)12-3-13-6/h3H,2,11H2,1H3.
What are the key properties of [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 207.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82395787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).