5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H13F3N4O — CID 162357418

IUPAC5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CCc2cnc(N)nc2C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N4O/c1-21-10-5-3-8(6-18-10)2-4-9-7-19-12(17)20-11(9)13(14,15)16/h3,5-7H,2,4H2,1H3,(H2,17,19,20)
InChIKeyBRRWQXYKRRIYJO-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.27
Rot. Bonds4

About 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 162357418) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID162357418
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CCc2cnc(N)nc2C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N4O/c1-21-10-5-3-8(6-18-10)2-4-9-7-19-12(17)20-11(9)13(14,15)16/h3,5-7H,2,4H2,1H3,(H2,17,19,20)
InChIKeyBRRWQXYKRRIYJO-UHFFFAOYSA-N
XLogP2.27
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 162357418) is 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CCc2cnc(N)nc2C(F)(F)F)cn1.
What is the InChIKey of 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BRRWQXYKRRIYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-21-10-5-3-8(6-18-10)2-4-9-7-19-12(17)20-11(9)13(14,15)16/h3,5-7H,2,4H2,1H3,(H2,17,19,20).
What are the key properties of 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methoxy-3-pyridinyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 162357418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).