1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol

C8H11FN2O — CID 91225225

IUPAC1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ncc(F)cn1
InChIInChI=1S/C8H11FN2O/c1-8(2,12)3-7-10-4-6(9)5-11-7/h4-5,12H,3H2,1-2H3
InChIKeyKFVBDVUEVGEJFM-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.93
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol

1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol (PubChem CID 91225225) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol
PubChem CID91225225
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ncc(F)cn1
InChIInChI=1S/C8H11FN2O/c1-8(2,12)3-7-10-4-6(9)5-11-7/h4-5,12H,3H2,1-2H3
InChIKeyKFVBDVUEVGEJFM-UHFFFAOYSA-N
XLogP0.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol (CID 91225225) is 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol?
The InChIKey is KFVBDVUEVGEJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-8(2,12)3-7-10-4-6(9)5-11-7/h4-5,12H,3H2,1-2H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol?
1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol has a molecular weight of 170.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 91225225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).