[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate

C20H25N3O6 — CID 7555699

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCCCn1c(N)c(C(=O)COC(=O)[C@@H](CC)Oc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H25N3O6/c1-4-11-23-17(21)16(18(25)22(3)20(23)27)14(24)12-28-19(26)15(5-2)29-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12,21H2,1-3H3/t15-/m1/s1
InChIKeyGJGGFUIWRAYUQF-OAHLLOKOSA-N
MW403.44 g/mol
LogP1.12
Rot. Bonds9

About [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate (PubChem CID 7555699) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate
PubChem CID7555699
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCCCn1c(N)c(C(=O)COC(=O)[C@@H](CC)Oc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H25N3O6/c1-4-11-23-17(21)16(18(25)22(3)20(23)27)14(24)12-28-19(26)15(5-2)29-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12,21H2,1-3H3/t15-/m1/s1
InChIKeyGJGGFUIWRAYUQF-OAHLLOKOSA-N
XLogP1.12
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 16540826
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chlorobenzoate
CID 7775795
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7864226
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523847
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 16503874
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] furan-2-carboxylate
CID 7814367
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 42885396
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-chlorobenzoate
CID 7797347
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 166435398
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 16542575
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867659
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 41411855

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate (CID 7555699) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate is CCCn1c(N)c(C(=O)COC(=O)[C@@H](CC)Oc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The InChIKey is GJGGFUIWRAYUQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-4-11-23-17(21)16(18(25)22(3)20(23)27)14(24)12-28-19(26)15(5-2)29-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12,21H2,1-3H3/t15-/m1/s1.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate has a molecular weight of 403.44 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7555699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).