2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one

C15H18N2O2 — CID 136692419

IUPAC2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccc(CC)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)13-9-15(18)17-14(16-13)10-19-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyJRTLBGBAYVCNSA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.54
Rot. Bonds5

About 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one (PubChem CID 136692419) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
PubChem CID136692419
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(-c2ccc(CC)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)13-9-15(18)17-14(16-13)10-19-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyJRTLBGBAYVCNSA-UHFFFAOYSA-N
XLogP2.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one (CID 136692419) is 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one is CCOCc1nc(-c2ccc(CC)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is JRTLBGBAYVCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-5-7-12(8-6-11)13-9-15(18)17-14(16-13)10-19-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).