3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol

C12H18N2O2 — CID 171604073

IUPAC3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol
SMILESCC(C)(C)c1ncc(C2(O)CCOC2)cn1
InChIInChI=1S/C12H18N2O2/c1-11(2,3)10-13-6-9(7-14-10)12(15)4-5-16-8-12/h6-7,15H,4-5,8H2,1-3H3
InChIKeyQFPUQRZFGMTLMT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds1

About 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol

3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol (PubChem CID 171604073) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol
PubChem CID171604073
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol
SMILESCC(C)(C)c1ncc(C2(O)CCOC2)cn1
InChIInChI=1S/C12H18N2O2/c1-11(2,3)10-13-6-9(7-14-10)12(15)4-5-16-8-12/h6-7,15H,4-5,8H2,1-3H3
InChIKeyQFPUQRZFGMTLMT-UHFFFAOYSA-N
XLogP1.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol?
The IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol (CID 171604073) is 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol.
What is the SMILES notation for 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol?
The canonical SMILES for 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol is CC(C)(C)c1ncc(C2(O)CCOC2)cn1.
What is the InChIKey of 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol?
The InChIKey is QFPUQRZFGMTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-11(2,3)10-13-6-9(7-14-10)12(15)4-5-16-8-12/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol?
3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrimidin-5-yl)oxolan-3-ol is sourced from PubChem (CID 171604073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).