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

C19H17N3O5 — CID 2483010

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O5/c1-21-16(20)15(17(24)22(2)19(21)26)14(23)10-27-18(25)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10,20H2,1-2H3
InChIKeyXPKDJNPCLDTGTJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP0.86
Rot. Bonds4

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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2483010) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2483010
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O5/c1-21-16(20)15(17(24)22(2)19(21)26)14(23)10-27-18(25)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10,20H2,1-2H3
InChIKeyXPKDJNPCLDTGTJ-UHFFFAOYSA-N
XLogP0.86
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-phenylbenzoate
CID 2118534
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2360429
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 2480373
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-fluorobenzoate
CID 2084006
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-fluorobenzoate
CID 2092416
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-benzoylbenzoate
CID 2425775
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 3302100
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 4853648
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2115812
[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-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 2096245

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate (CID 2483010) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate is Cn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is XPKDJNPCLDTGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-21-16(20)15(17(24)22(2)19(21)26)14(23)10-27-18(25)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10,20H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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] naphthalene-2-carboxylate is sourced from PubChem (CID 2483010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).