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

C10H13F3N2O2 — CID 62088688

IUPAC[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)(F)F)c(CO)n1
InChIInChI=1S/C10H13F3N2O2/c1-6(2)9-14-3-8(7(4-16)15-9)17-5-10(11,12)13/h3,6,16H,4-5H2,1-2H3
InChIKeyFYZFCGORFQSEGL-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.03
Rot. Bonds4

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

[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol (PubChem CID 62088688) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol
PubChem CID62088688
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)(F)F)c(CO)n1
InChIInChI=1S/C10H13F3N2O2/c1-6(2)9-14-3-8(7(4-16)15-9)17-5-10(11,12)13/h3,6,16H,4-5H2,1-2H3
InChIKeyFYZFCGORFQSEGL-UHFFFAOYSA-N
XLogP2.03
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.03
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-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol (CID 62088688) is [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol is CC(C)c1ncc(OCC(F)(F)F)c(CO)n1.
What is the InChIKey of [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol?
The InChIKey is FYZFCGORFQSEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6(2)9-14-3-8(7(4-16)15-9)17-5-10(11,12)13/h3,6,16H,4-5H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol has a molecular weight of 250.22 g/mol, XLogP of 2.03, 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-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanol is sourced from PubChem (CID 62088688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).