[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

C12H18F3N3O — CID 62087608

IUPAC[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-5-16-11(8(2)3)17-9(10)6-19/h5,8,19H,4,6-7H2,1-3H3
InChIKeyXMSIPUPLIJENMP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.48
Rot. Bonds5

About [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62087608) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62087608
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-5-16-11(8(2)3)17-9(10)6-19/h5,8,19H,4,6-7H2,1-3H3
InChIKeyXMSIPUPLIJENMP-UHFFFAOYSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62087608) is [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is CCN(CC(F)(F)F)c1cnc(C(C)C)nc1CO.
What is the InChIKey of [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is XMSIPUPLIJENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-18(7-12(13,14)15)10-5-16-11(8(2)3)17-9(10)6-19/h5,8,19H,4,6-7H2,1-3H3.
What are the key properties of [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 277.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62087608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).