4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine

C12H18F3N5 — CID 114564188

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)C1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H18F3N5/c1-19(2)8-3-5-20(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyJACCWTQBDIOCDB-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.61
Rot. Bonds2

About 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine

4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114564188) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114564188
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)C1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H18F3N5/c1-19(2)8-3-5-20(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyJACCWTQBDIOCDB-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 114564188) is 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine is CN(C)C1CCN(c2cc(C(F)(F)F)nc(N)n2)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JACCWTQBDIOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-19(2)8-3-5-20(6-4-8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 289.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114564188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).