[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine

C12H11F3N4O — CID 118008565

IUPAC[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
SMILESCOc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN
InChIInChI=1S/C12H11F3N4O/c1-20-10-6-17-9(2-7(10)3-16)8-4-18-11(19-5-8)12(13,14)15/h2,4-6H,3,16H2,1H3
InChIKeyLBWCMKQMIITMMO-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.02
Rot. Bonds3

About [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine

[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine (PubChem CID 118008565) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
PubChem CID118008565
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
SMILESCOc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN
InChIInChI=1S/C12H11F3N4O/c1-20-10-6-17-9(2-7(10)3-16)8-4-18-11(19-5-8)12(13,14)15/h2,4-6H,3,16H2,1H3
InChIKeyLBWCMKQMIITMMO-UHFFFAOYSA-N
XLogP2.02
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine?
The IUPAC name of [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine (CID 118008565) is [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine.
What is the SMILES notation for [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine?
The canonical SMILES for [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine is COc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN.
What is the InChIKey of [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine?
The InChIKey is LBWCMKQMIITMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-20-10-6-17-9(2-7(10)3-16)8-4-18-11(19-5-8)12(13,14)15/h2,4-6H,3,16H2,1H3.
What are the key properties of [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine?
[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine has a molecular weight of 284.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine is sourced from PubChem (CID 118008565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).