1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine

C18H23F3N4O — CID 135282554

IUPAC1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine
SMILESCc1nccc(-c2ccc(OCC(N)(CC(C)C)C(F)(F)F)c(C)n2)n1
InChIInChI=1S/C18H23F3N4O/c1-11(2)9-17(22,18(19,20)21)10-26-16-6-5-14(24-12(16)3)15-7-8-23-13(4)25-15/h5-8,11H,9-10,22H2,1-4H3
InChIKeyKNKGQAHYNCLUIS-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.84
Rot. Bonds6

About 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine

1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine (PubChem CID 135282554) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine
PubChem CID135282554
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine
SMILESCc1nccc(-c2ccc(OCC(N)(CC(C)C)C(F)(F)F)c(C)n2)n1
InChIInChI=1S/C18H23F3N4O/c1-11(2)9-17(22,18(19,20)21)10-26-16-6-5-14(24-12(16)3)15-7-8-23-13(4)25-15/h5-8,11H,9-10,22H2,1-4H3
InChIKeyKNKGQAHYNCLUIS-UHFFFAOYSA-N
XLogP3.84
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine (CID 135282554) is 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine is Cc1nccc(-c2ccc(OCC(N)(CC(C)C)C(F)(F)F)c(C)n2)n1.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine?
The InChIKey is KNKGQAHYNCLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-11(2)9-17(22,18(19,20)21)10-26-16-6-5-14(24-12(16)3)15-7-8-23-13(4)25-15/h5-8,11H,9-10,22H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine?
1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine has a molecular weight of 368.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxymethyl]pentan-2-amine is sourced from PubChem (CID 135282554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).