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

C19H17N3O6 — CID 2362720

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O6/c1-21-16(20)15(17(25)22(2)19(21)27)14(24)9-28-18(26)12-7-10-5-3-4-6-11(10)8-13(12)23/h3-8,23H,9,20H2,1-2H3
InChIKeyOSZGOFKPWUYPSK-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.56
Rot. Bonds4

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2362720) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2362720
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O6/c1-21-16(20)15(17(25)22(2)19(21)27)14(24)9-28-18(26)12-7-10-5-3-4-6-11(10)8-13(12)23/h3-8,23H,9,20H2,1-2H3
InChIKeyOSZGOFKPWUYPSK-UHFFFAOYSA-N
XLogP0.56
TPSA133.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
(2-Oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2388572
3-Hydroxy-2-naphthalenecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester
CID 2999033
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 3302100
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416106
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 25161777
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2083979
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
CID 2483010
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 24981135
[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2099049
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2369696

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2362720) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is Cn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is OSZGOFKPWUYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-21-16(20)15(17(25)22(2)19(21)27)14(24)9-28-18(26)12-7-10-5-3-4-6-11(10)8-13(12)23/h3-8,23H,9,20H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 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] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2362720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).