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

C18H18N2O3 — CID 509572

IUPAC1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCOCn1c(Cc2cccc3ccccc23)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N2O3/c1-12-16(20(11-23-2)18(22)19-17(12)21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,19,21,22)
InChIKeyPPIRESMKFGCJDV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.19
Rot. Bonds4

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

1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 509572) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID509572
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESCOCn1c(Cc2cccc3ccccc23)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N2O3/c1-12-16(20(11-23-2)18(22)19-17(12)21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,19,21,22)
InChIKeyPPIRESMKFGCJDV-UHFFFAOYSA-N
XLogP2.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 509572) is 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is COCn1c(Cc2cccc3ccccc23)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is PPIRESMKFGCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-16(20(11-23-2)18(22)19-17(12)21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,19,21,22).
What are the key properties of 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-5-methyl-6-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 509572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).