4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid

C15H26N4O5 — CID 119955367

IUPAC4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid
SMILESCOCCN(CCCC(=O)O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O5/c1-10(2)9-19-13(16)12(14(22)17-15(19)23)18(7-8-24-3)6-4-5-11(20)21/h10H,4-9,16H2,1-3H3,(H,20,21)(H,17,22,23)
InChIKeyGRAWFYBCTYIDBQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.09
Rot. Bonds10

About 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid

4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid (PubChem CID 119955367) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid
PubChem CID119955367
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid
SMILESCOCCN(CCCC(=O)O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H26N4O5/c1-10(2)9-19-13(16)12(14(22)17-15(19)23)18(7-8-24-3)6-4-5-11(20)21/h10H,4-9,16H2,1-3H3,(H,20,21)(H,17,22,23)
InChIKeyGRAWFYBCTYIDBQ-UHFFFAOYSA-N
XLogP0.09
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid with MolForge

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Related Compounds

6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648892
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-methylpropanamide
CID 17480203
3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 30869746
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834390
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30391240
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 43037608
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 7995118
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 34200106
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,2-dichloro-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 78779718

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid?
The IUPAC name of 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid (CID 119955367) is 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid?
The canonical SMILES for 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid is COCCN(CCCC(=O)O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid?
The InChIKey is GRAWFYBCTYIDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-10(2)9-19-13(16)12(14(22)17-15(19)23)18(7-8-24-3)6-4-5-11(20)21/h10H,4-9,16H2,1-3H3,(H,20,21)(H,17,22,23).
What are the key properties of 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid?
4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid has a molecular weight of 342.40 g/mol, XLogP of 0.09, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]butanoic acid is sourced from PubChem (CID 119955367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).