3-ethyl-5-propan-2-ylpyrimidin-4-one

C9H14N2O — CID 89409698

IUPAC3-ethyl-5-propan-2-ylpyrimidin-4-one
SMILESCCn1cncc(C(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-4-11-6-10-5-8(7(2)3)9(11)12/h5-7H,4H2,1-3H3
InChIKeyMARATTZJSNVZJH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds2

About 3-ethyl-5-propan-2-ylpyrimidin-4-one

3-ethyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 89409698) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-propan-2-ylpyrimidin-4-one
PubChem CID89409698
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-ethyl-5-propan-2-ylpyrimidin-4-one
SMILESCCn1cncc(C(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-4-11-6-10-5-8(7(2)3)9(11)12/h5-7H,4H2,1-3H3
InChIKeyMARATTZJSNVZJH-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-ethyl-5-propan-2-ylpyrimidin-4-one (CID 89409698) is 3-ethyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-propan-2-ylpyrimidin-4-one is CCn1cncc(C(C)C)c1=O.
What is the InChIKey of 3-ethyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is MARATTZJSNVZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-11-6-10-5-8(7(2)3)9(11)12/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-ylpyrimidin-4-one?
3-ethyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 89409698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).