4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid

C14H22N4O6 — CID 2113064

IUPAC4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCCCn1c(N)c(N(CCOC)C(=O)CCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6/c1-3-6-18-12(15)11(13(22)16-14(18)23)17(7-8-24-2)9(19)4-5-10(20)21/h3-8,15H2,1-2H3,(H,20,21)(H,16,22,23)
InChIKeyXKPYIHRFCCUGDT-UHFFFAOYSA-N
MW342.35 g/mol
LogP-0.63
Rot. Bonds9

About 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid

4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid (PubChem CID 2113064) has the molecular formula C14H22N4O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
PubChem CID2113064
Molecular FormulaC14H22N4O6
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCCCn1c(N)c(N(CCOC)C(=O)CCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O6/c1-3-6-18-12(15)11(13(22)16-14(18)23)17(7-8-24-2)9(19)4-5-10(20)21/h3-8,15H2,1-2H3,(H,20,21)(H,16,22,23)
InChIKeyXKPYIHRFCCUGDT-UHFFFAOYSA-N
XLogP-0.63
TPSA147.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 26186152
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)acetamide
CID 8933546
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55344710
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55582201
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-yl)-N-(2-methoxyethyl)acetamide
CID 8583535
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894420
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid (CID 2113064) is 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid is CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid?
The InChIKey is XKPYIHRFCCUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6/c1-3-6-18-12(15)11(13(22)16-14(18)23)17(7-8-24-2)9(19)4-5-10(20)21/h3-8,15H2,1-2H3,(H,20,21)(H,16,22,23).
What are the key properties of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid?
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid has a molecular weight of 342.35 g/mol, XLogP of -0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 2113064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).