[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C20H19N3O6 — CID 2478982

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCn1c(N)c(C(=O)COC(=O)COc2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C20H19N3O6/c1-22-18(21)17(19(26)23(2)20(22)27)15(24)10-29-16(25)11-28-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11,21H2,1-2H3
InChIKeyXOXWHWOEAMQRKI-UHFFFAOYSA-N
MW397.39 g/mol
LogP0.62
Rot. Bonds6

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2478982) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2478982
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCn1c(N)c(C(=O)COC(=O)COc2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C20H19N3O6/c1-22-18(21)17(19(26)23(2)20(22)27)15(24)10-29-16(25)11-28-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11,21H2,1-2H3
InChIKeyXOXWHWOEAMQRKI-UHFFFAOYSA-N
XLogP0.62
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 2478982) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is Cn1c(N)c(C(=O)COC(=O)COc2ccc3ccccc3c2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is XOXWHWOEAMQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-22-18(21)17(19(26)23(2)20(22)27)15(24)10-29-16(25)11-28-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11,21H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 397.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2478982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).