1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol

C11H18N2O2 — CID 58552799

IUPAC1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
SMILESCCC(O)COc1nccc(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyBNDDFSIDEVBWMO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol

1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol (PubChem CID 58552799) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
PubChem CID58552799
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
SMILESCCC(O)COc1nccc(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyBNDDFSIDEVBWMO-UHFFFAOYSA-N
XLogP1.75
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The IUPAC name of 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol (CID 58552799) is 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol.
What is the SMILES notation for 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The canonical SMILES for 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol is CCC(O)COc1nccc(C(C)C)n1.
What is the InChIKey of 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The InChIKey is BNDDFSIDEVBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol is sourced from PubChem (CID 58552799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).