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

C20H22N2O3 — CID 509587

IUPAC1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-3-6-17-18(22(13-25-2)20(24)21-19(17)23)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,21,23,24)
InChIKeyJRECBZZPHDPBQE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.84
Rot. Bonds6

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

1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione (PubChem CID 509587) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione
PubChem CID509587
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N2O3/c1-3-6-17-18(22(13-25-2)20(24)21-19(17)23)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,21,23,24)
InChIKeyJRECBZZPHDPBQE-UHFFFAOYSA-N
XLogP2.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione?
The IUPAC name of 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione (CID 509587) is 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione is CCCc1c(Cc2ccc3ccccc3c2)n(COC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione?
The InChIKey is JRECBZZPHDPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-6-17-18(22(13-25-2)20(24)21-19(17)23)12-14-9-10-15-7-4-5-8-16(15)11-14/h4-5,7-11H,3,6,12-13H2,1-2H3,(H,21,23,24).
What are the key properties of 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione?
1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-(naphthalen-2-ylmethyl)-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 509587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).