N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H13F3N4O — CID 106769320

IUPACN-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(OC)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-10-6-9(19-12(20-10)13(14,15)16)8-4-5-11(21-2)18-7-8/h4-7H,3H2,1-2H3,(H,17,19,20)
InChIKeyRGZKQESUQIOGSQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.00
Rot. Bonds4

About N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769320) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769320
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(OC)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-10-6-9(19-12(20-10)13(14,15)16)8-4-5-11(21-2)18-7-8/h4-7H,3H2,1-2H3,(H,17,19,20)
InChIKeyRGZKQESUQIOGSQ-UHFFFAOYSA-N
XLogP3.00
TPSA59.93 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769320) is N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(-c2ccc(OC)nc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RGZKQESUQIOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-3-17-10-6-9(19-12(20-10)13(14,15)16)8-4-5-11(21-2)18-7-8/h4-7H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 298.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(6-methoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).