4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

C15H16F3N5O — CID 146077999

IUPAC4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c1-24-14-9-13(19-10-20-14)23-7-5-22(6-8-23)12-4-2-3-11(21-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3
InChIKeyCUTWRVPHQNKJMP-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.23
Rot. Bonds3

About 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (PubChem CID 146077999) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
PubChem CID146077999
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCOc1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)ncn1
InChIInChI=1S/C15H16F3N5O/c1-24-14-9-13(19-10-20-14)23-7-5-22(6-8-23)12-4-2-3-11(21-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3
InChIKeyCUTWRVPHQNKJMP-UHFFFAOYSA-N
XLogP2.23
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (CID 146077999) is 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is COc1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)ncn1.
What is the InChIKey of 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The InChIKey is CUTWRVPHQNKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-24-14-9-13(19-10-20-14)23-7-5-22(6-8-23)12-4-2-3-11(21-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine has a molecular weight of 339.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146077999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).