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

C17H20F3N5O — CID 24732713

IUPAC1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCc3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H20F3N5O/c1-26-15-4-7-21-16(24-15)25-8-5-13(6-9-25)22-10-12-2-3-14(23-11-12)17(18,19)20/h2-4,7,11,13,22H,5-6,8-10H2,1H3
InChIKeyPEZLCOUZVUQHPW-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.66
Rot. Bonds5

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

1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine (PubChem CID 24732713) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
PubChem CID24732713
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCc3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H20F3N5O/c1-26-15-4-7-21-16(24-15)25-8-5-13(6-9-25)22-10-12-2-3-14(23-11-12)17(18,19)20/h2-4,7,11,13,22H,5-6,8-10H2,1H3
InChIKeyPEZLCOUZVUQHPW-UHFFFAOYSA-N
XLogP2.66
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine (CID 24732713) is 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine is COc1ccnc(N2CCC(NCc3ccc(C(F)(F)F)nc3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is PEZLCOUZVUQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-26-15-4-7-21-16(24-15)25-8-5-13(6-9-25)22-10-12-2-3-14(23-11-12)17(18,19)20/h2-4,7,11,13,22H,5-6,8-10H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine?
1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 367.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 24732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).