[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C12H17F3N4O — CID 106772774

IUPAC[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-2-16-9-5-10(18-11(17-9)12(13,14)15)19-4-3-8(6-19)7-20/h5,8,20H,2-4,6-7H2,1H3,(H,16,17,18)
InChIKeyRNXBFWPAHRRBGY-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.75
Rot. Bonds4

About [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 106772774) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID106772774
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-2-16-9-5-10(18-11(17-9)12(13,14)15)19-4-3-8(6-19)7-20/h5,8,20H,2-4,6-7H2,1H3,(H,16,17,18)
InChIKeyRNXBFWPAHRRBGY-UHFFFAOYSA-N
XLogP1.75
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 106772774) is [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CCNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is RNXBFWPAHRRBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-9-5-10(18-11(17-9)12(13,14)15)19-4-3-8(6-19)7-20/h5,8,20H,2-4,6-7H2,1H3,(H,16,17,18).
What are the key properties of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 106772774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).