1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

C12H17F3N4O — CID 114563784

IUPAC1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(N2CCC(O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11-17-9(12(13,14)15)7-10(18-11)19-5-3-8(20)4-6-19/h7-8,20H,2-6H2,1H3,(H,16,17,18)
InChIKeyMRNVYUJSZDNWAA-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 114563784) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID114563784
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCCNc1nc(N2CCC(O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-2-16-11-17-9(12(13,14)15)7-10(18-11)19-5-3-8(20)4-6-19/h7-8,20H,2-6H2,1H3,(H,16,17,18)
InChIKeyMRNVYUJSZDNWAA-UHFFFAOYSA-N
XLogP1.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (CID 114563784) is 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is CCNc1nc(N2CCC(O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is MRNVYUJSZDNWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-11-17-9(12(13,14)15)7-10(18-11)19-5-3-8(20)4-6-19/h7-8,20H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 290.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 114563784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).