N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C13H19F3N4O — CID 106774325

IUPACN-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-10-9-11(19-12(18-10)13(14,15)16)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyOQDDNGJQXLGYLZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774325) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774325
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-10-9-11(19-12(18-10)13(14,15)16)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H,17,18,19)
InChIKeyOQDDNGJQXLGYLZ-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774325) is N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OCCN2CCCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OQDDNGJQXLGYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-17-10-9-11(19-12(18-10)13(14,15)16)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-piperidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).