4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one

C14H16N2O — CID 136955513

IUPAC4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc(C)ccc2C)nc[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-4-11-13(15-8-16-14(11)17)12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyLHTGASRJMOXMTL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.62
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one

4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 136955513) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID136955513
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc(C)ccc2C)nc[nH]c1=O
InChIInChI=1S/C14H16N2O/c1-4-11-13(15-8-16-14(11)17)12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyLHTGASRJMOXMTL-UHFFFAOYSA-N
XLogP2.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one (CID 136955513) is 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one is CCc1c(-c2cc(C)ccc2C)nc[nH]c1=O.
What is the InChIKey of 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is LHTGASRJMOXMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-11-13(15-8-16-14(11)17)12-7-9(2)5-6-10(12)3/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one?
4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 228.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).