2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one

C16H20N2O2 — CID 136769566

IUPAC2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC(C)C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O2/c1-5-14-17-15(11(4)16(19)18-14)12-7-6-8-13(9-12)20-10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyVEDKCJJNNHRTLO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.09
Rot. Bonds4

About 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one

2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136769566) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
PubChem CID136769566
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC(C)C)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C16H20N2O2/c1-5-14-17-15(11(4)16(19)18-14)12-7-6-8-13(9-12)20-10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyVEDKCJJNNHRTLO-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one (CID 136769566) is 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one is CCc1nc(-c2cccc(OC(C)C)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is VEDKCJJNNHRTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-14-17-15(11(4)16(19)18-14)12-7-6-8-13(9-12)20-10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one?
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).