4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine

C12H17F3N4O — CID 128977714

IUPAC4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C(F)(F)F)N(C)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-19-7-8(3-4-9(19)12(13,14)15)17-11-16-6-5-10(18-11)20-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyFYQNJSUWWNBVDI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.92
Rot. Bonds3

About 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine

4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 128977714) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID128977714
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCC(C(F)(F)F)N(C)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-19-7-8(3-4-9(19)12(13,14)15)17-11-16-6-5-10(18-11)20-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyFYQNJSUWWNBVDI-UHFFFAOYSA-N
XLogP1.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine (CID 128977714) is 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine is COc1ccnc(NC2CCC(C(F)(F)F)N(C)C2)n1.
What is the InChIKey of 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is FYQNJSUWWNBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-19-7-8(3-4-9(19)12(13,14)15)17-11-16-6-5-10(18-11)20-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 128977714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).