[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C19H20N4O5 — CID 7697476

IUPAC[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N4O5/c1-23-17(20)16(18(26)22-19(23)27)14(24)10-28-15(25)8-4-5-11-9-21-13-7-3-2-6-12(11)13/h2-3,6-7,9,21H,4-5,8,10,20H2,1H3,(H,22,26,27)
InChIKeyVKLHMDQNGPEKGF-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.89
Rot. Bonds7

About [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 7697476) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID7697476
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C19H20N4O5/c1-23-17(20)16(18(26)22-19(23)27)14(24)10-28-15(25)8-4-5-11-9-21-13-7-3-2-6-12(11)13/h2-3,6-7,9,21H,4-5,8,10,20H2,1H3,(H,22,26,27)
InChIKeyVKLHMDQNGPEKGF-UHFFFAOYSA-N
XLogP0.89
TPSA140.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

ethyl 5-[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2423221
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7698017
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7701683
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7702059
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659172
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659142
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7517339
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 7697476) is [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is Cn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is VKLHMDQNGPEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-23-17(20)16(18(26)22-19(23)27)14(24)10-28-15(25)8-4-5-11-9-21-13-7-3-2-6-12(11)13/h2-3,6-7,9,21H,4-5,8,10,20H2,1H3,(H,22,26,27).
What are the key properties of [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 384.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 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] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 7697476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).