5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

C10H15N3O4 — CID 136958940

IUPAC5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1c(NCCCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-17-8-9(12-6-13-10(8)16)11-5-3-2-4-7(14)15/h6H,2-5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCSDUEETWHYASAP-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.45
Rot. Bonds7

About 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958940) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958940
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCOc1c(NCCCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-17-8-9(12-6-13-10(8)16)11-5-3-2-4-7(14)15/h6H,2-5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCSDUEETWHYASAP-UHFFFAOYSA-N
XLogP0.45
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958940) is 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is COc1c(NCCCCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is CSDUEETWHYASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-8-9(12-6-13-10(8)16)11-5-3-2-4-7(14)15/h6H,2-5H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).