[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol

C11H15F3N2O2 — CID 82954942

IUPAC[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCCC(F)(F)F)c(CO)n1
InChIInChI=1S/C11H15F3N2O2/c1-7(2)10-15-5-9(8(6-17)16-10)18-4-3-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3
InChIKeyWWWKVYLHBSVFPU-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.42
Rot. Bonds5

About [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol

[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol (PubChem CID 82954942) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol
PubChem CID82954942
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCCC(F)(F)F)c(CO)n1
InChIInChI=1S/C11H15F3N2O2/c1-7(2)10-15-5-9(8(6-17)16-10)18-4-3-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3
InChIKeyWWWKVYLHBSVFPU-UHFFFAOYSA-N
XLogP2.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol (CID 82954942) is [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol is CC(C)c1ncc(OCCC(F)(F)F)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol?
The InChIKey is WWWKVYLHBSVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-7(2)10-15-5-9(8(6-17)16-10)18-4-3-11(12,13)14/h5,7,17H,3-4,6H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol has a molecular weight of 264.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]methanol is sourced from PubChem (CID 82954942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).