1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

C19H18N2O4 — CID 12065975

IUPAC1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
SMILESCCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N2O4/c1-3-25-11-21-16(12(2)18(23)20-19(21)24)17(22)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,23,24)
InChIKeySDFIOEJMXALCDG-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.22
Rot. Bonds5

About 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione (PubChem CID 12065975) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
PubChem CID12065975
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
SMILESCCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H18N2O4/c1-3-25-11-21-16(12(2)18(23)20-19(21)24)17(22)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,23,24)
InChIKeySDFIOEJMXALCDG-UHFFFAOYSA-N
XLogP2.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione (CID 12065975) is 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione is CCOCn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione?
The InChIKey is SDFIOEJMXALCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-11-21-16(12(2)18(23)20-19(21)24)17(22)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11H2,1-2H3,(H,20,23,24).
What are the key properties of 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione?
1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione has a molecular weight of 338.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 12065975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).