4-ethyl-6-propan-2-ylpyrimidin-5-ol

C9H14N2O — CID 143740728

IUPAC4-ethyl-6-propan-2-ylpyrimidin-5-ol
SMILESCCc1ncnc(C(C)C)c1O
InChIInChI=1S/C9H14N2O/c1-4-7-9(12)8(6(2)3)11-5-10-7/h5-6,12H,4H2,1-3H3
InChIKeyKYDIWDAMRHLOAJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds2

About 4-ethyl-6-propan-2-ylpyrimidin-5-ol

4-ethyl-6-propan-2-ylpyrimidin-5-ol (PubChem CID 143740728) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethyl-6-propan-2-ylpyrimidin-5-ol.

Molecular Properties

Compound Name4-ethyl-6-propan-2-ylpyrimidin-5-ol
PubChem CID143740728
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-ethyl-6-propan-2-ylpyrimidin-5-ol
SMILESCCc1ncnc(C(C)C)c1O
InChIInChI=1S/C9H14N2O/c1-4-7-9(12)8(6(2)3)11-5-10-7/h5-6,12H,4H2,1-3H3
InChIKeyKYDIWDAMRHLOAJ-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propan-2-ylpyrimidin-5-ol?
The IUPAC name of 4-ethyl-6-propan-2-ylpyrimidin-5-ol (CID 143740728) is 4-ethyl-6-propan-2-ylpyrimidin-5-ol.
What is the SMILES notation for 4-ethyl-6-propan-2-ylpyrimidin-5-ol?
The canonical SMILES for 4-ethyl-6-propan-2-ylpyrimidin-5-ol is CCc1ncnc(C(C)C)c1O.
What is the InChIKey of 4-ethyl-6-propan-2-ylpyrimidin-5-ol?
The InChIKey is KYDIWDAMRHLOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-9(12)8(6(2)3)11-5-10-7/h5-6,12H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-propan-2-ylpyrimidin-5-ol?
4-ethyl-6-propan-2-ylpyrimidin-5-ol has a molecular weight of 166.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-propan-2-ylpyrimidin-5-ol is sourced from PubChem (CID 143740728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).