ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate

C14H23N3O6 — CID 10871199

IUPACethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(N(CCO)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O6/c1-2-23-12(20)4-3-5-17-10-11(13(21)15-14(17)22)16(6-8-18)7-9-19/h10,18-19H,2-9H2,1H3,(H,15,21,22)
InChIKeyKGURXNOMCHFSQG-UHFFFAOYSA-N
MW329.35 g/mol
LogP-1.33
Rot. Bonds10

About ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate

ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate (PubChem CID 10871199) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate
PubChem CID10871199
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Nameethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(N(CCO)CCO)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O6/c1-2-23-12(20)4-3-5-17-10-11(13(21)15-14(17)22)16(6-8-18)7-9-19/h10,18-19H,2-9H2,1H3,(H,15,21,22)
InChIKeyKGURXNOMCHFSQG-UHFFFAOYSA-N
XLogP-1.33
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
ethyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)butanoate
CID 113225179
ethyl 4-(2,4-dioxoquinazolin-1-yl)butanoate
CID 19087677
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 101049324
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
CID 106801777
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
methyl 4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanoate
CID 63799397
ethyl 4-[6-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
CID 72943573
2-amino-3-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]propanoic acid;dihydrochloride
CID 131875195
ethyl 4-(2-methyl-4-nitroimidazol-1-yl)butanoate
CID 23274579
1-[4-(dimethylamino)butyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875074
ethyl 4-[4-oxo-5-[1-(1H-pyrazol-4-yl)ethyl]-2-sulfanylidenepyrimidin-1-yl]butanoate
CID 87667733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate?
The IUPAC name of ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate (CID 10871199) is ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate is CCOC(=O)CCCn1cc(N(CCO)CCO)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate?
The InChIKey is KGURXNOMCHFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-2-23-12(20)4-3-5-17-10-11(13(21)15-14(17)22)16(6-8-18)7-9-19/h10,18-19H,2-9H2,1H3,(H,15,21,22).
What are the key properties of ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate?
ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate has a molecular weight of 329.35 g/mol, XLogP of -1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoate is sourced from PubChem (CID 10871199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).