[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate

C11H15N3O5 — CID 7696375

IUPAC[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-4-7(16)19-5-6(15)8-9(12)14(2)11(18)13-10(8)17/h3-5,12H2,1-2H3,(H,13,17,18)
InChIKeyPSJYRTFUQBXTTA-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.82
Rot. Bonds5

About [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate

[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate (PubChem CID 7696375) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate.

Molecular Properties

Compound Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate
PubChem CID7696375
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-4-7(16)19-5-6(15)8-9(12)14(2)11(18)13-10(8)17/h3-5,12H2,1-2H3,(H,13,17,18)
InChIKeyPSJYRTFUQBXTTA-UHFFFAOYSA-N
XLogP-0.82
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 5022375
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2449397
6-Amino-1,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidineacetic acid, ethyl ester
CID 318059
3-Methyl-5-hydroxyacetyl-6-aminouracil
CID 12409957
Ethyl 2-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoacetate
CID 129753102
Ethyl 2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-2-oxoacetate
CID 320026
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] propanoate
CID 2099366
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] acetate
CID 2100929
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate
CID 2128912
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-ethylbutanoate
CID 2366278
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-methylpropanoate
CID 4858054
6-Amino-5-(2-hydroxyacetyl)-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 55221703

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate?
The IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate (CID 7696375) is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate.
What is the SMILES notation for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate?
The canonical SMILES for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate is CCCC(=O)OCC(=O)c1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate?
The InChIKey is PSJYRTFUQBXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-4-7(16)19-5-6(15)8-9(12)14(2)11(18)13-10(8)17/h3-5,12H2,1-2H3,(H,13,17,18).
What are the key properties of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate?
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate has a molecular weight of 269.26 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] butanoate is sourced from PubChem (CID 7696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).