1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione

C19H20N2O3 — CID 509588

IUPAC1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2ccc3ccccc3c2)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O3/c1-3-24-12-21-17(13(2)18(22)20-19(21)23)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXHXJZPMNFQXBHP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.58
Rot. Bonds5

About 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione

1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 509588) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID509588
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCOCn1c(Cc2ccc3ccccc3c2)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N2O3/c1-3-24-12-21-17(13(2)18(22)20-19(21)23)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXHXJZPMNFQXBHP-UHFFFAOYSA-N
XLogP2.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Emivirine
CID 65013
6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
CID 3457
1-(Allyloxymethyl)-6-(3,5-dimethylbenzyl)-5-ethyl-uracil
CID 501417
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
CID 501418
1-(Allyloxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-isopropyl-pyrimidine-2,4-dione
CID 501423
6-[(3,5-Dimethylphenyl)methyl]-1-(2-methylprop-2-enoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 11078804
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(2-methylallyloxymethyl)pyrimidine-2,4-dione
CID 501419
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(prop-2-ynoxymethyl)pyrimidine-2,4-dione
CID 501420
1-Ethoxymethyl-5-ethyl-6-(3,5-dimethylbenzyl)uracil
CID 453151
6-Benzyl-1-(ethoxymethyl)-5-ethyluracil
CID 460914
6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione
CID 762168
1-(Ethoxymethyl)-5-ethyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
CID 16077332

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione (CID 509588) is 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione is CCOCn1c(Cc2ccc3ccccc3c2)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is XHXJZPMNFQXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-12-21-17(13(2)18(22)20-19(21)23)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione?
1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).