[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol

C11H15F3N2O2 — CID 66274831

IUPAC[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OC(C)C(F)(F)F)c(CO)n1
InChIInChI=1S/C11H15F3N2O2/c1-6(2)10-15-4-9(8(5-17)16-10)18-7(3)11(12,13)14/h4,6-7,17H,5H2,1-3H3
InChIKeyYNTHCKAZERQPTN-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.42
Rot. Bonds4

About [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol

[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol (PubChem CID 66274831) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol
PubChem CID66274831
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OC(C)C(F)(F)F)c(CO)n1
InChIInChI=1S/C11H15F3N2O2/c1-6(2)10-15-4-9(8(5-17)16-10)18-7(3)11(12,13)14/h4,6-7,17H,5H2,1-3H3
InChIKeyYNTHCKAZERQPTN-UHFFFAOYSA-N
XLogP2.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol (CID 66274831) is [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol is CC(C)c1ncc(OC(C)C(F)(F)F)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol?
The InChIKey is YNTHCKAZERQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-6(2)10-15-4-9(8(5-17)16-10)18-7(3)11(12,13)14/h4,6-7,17H,5H2,1-3H3.
What are the key properties of [2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol has a molecular weight of 264.25 g/mol, XLogP of 2.42, 4 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-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methanol is sourced from PubChem (CID 66274831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).