4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one

C14H16N2O3 — CID 136770020

IUPAC4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC)c2OC)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-4-12-15-10(8-13(17)16-12)9-6-5-7-11(18-2)14(9)19-3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyMUEDFMBSCRINKO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one

4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136770020) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136770020
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(OC)c2OC)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O3/c1-4-12-15-10(8-13(17)16-12)9-6-5-7-11(18-2)14(9)19-3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyMUEDFMBSCRINKO-UHFFFAOYSA-N
XLogP2.02
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
4-isoquinolin-8-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770401
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one (CID 136770020) is 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(-c2cccc(OC)c2OC)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MUEDFMBSCRINKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-12-15-10(8-13(17)16-12)9-6-5-7-11(18-2)14(9)19-3/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one?
4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).