[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C18H25N5O6 — CID 55394589

IUPAC[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCCCCN(C(=O)COC(=O)c1cc(C)no1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O6/c1-4-6-8-22(13(24)10-28-17(26)12-9-11(3)21-29-12)14-15(19)23(7-5-2)18(27)20-16(14)25/h9H,4-8,10,19H2,1-3H3,(H,20,25,27)
InChIKeyHJWGZSDTTXOORF-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.82
Rot. Bonds9

About [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 55394589) has the molecular formula C18H25N5O6 and a molecular weight of 407.43 g/mol. Its IUPAC name is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID55394589
Molecular FormulaC18H25N5O6
Molecular Weight407.43 g/mol
Exact Mass407.18
IUPAC Name[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCCCCN(C(=O)COC(=O)c1cc(C)no1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H25N5O6/c1-4-6-8-22(13(24)10-28-17(26)12-9-11(3)21-29-12)14-15(19)23(7-5-2)18(27)20-16(14)25/h9H,4-8,10,19H2,1-3H3,(H,20,25,27)
InChIKeyHJWGZSDTTXOORF-UHFFFAOYSA-N
XLogP0.82
TPSA153.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 38866104
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 4-butylbenzoate
CID 43018169
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 16575793
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540237
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 4-bromobenzoate
CID 2650940
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16526042
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 16515152
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55467005
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2650964
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 4-cyanobenzoate
CID 16522673
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524376

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 55394589) is [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is CCCCN(C(=O)COC(=O)c1cc(C)no1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is HJWGZSDTTXOORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O6/c1-4-6-8-22(13(24)10-28-17(26)12-9-11(3)21-29-12)14-15(19)23(7-5-2)18(27)20-16(14)25/h9H,4-8,10,19H2,1-3H3,(H,20,25,27).
What are the key properties of [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 407.43 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 55394589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).