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

C9H14N4O3 — CID 136958936

IUPAC5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESNc1c(NCCCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-7-8(12-5-13-9(7)16)11-4-2-1-3-6(14)15/h5H,1-4,10H2,(H,14,15)(H2,11,12,13,16)
InChIKeySYMMFAWZUIITET-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.02
Rot. Bonds6

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

5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958936) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958936
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESNc1c(NCCCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-7-8(12-5-13-9(7)16)11-4-2-1-3-6(14)15/h5H,1-4,10H2,(H,14,15)(H2,11,12,13,16)
InChIKeySYMMFAWZUIITET-UHFFFAOYSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.02
H-Bond Donors ≤ 54
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-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958936) is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is Nc1c(NCCCCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is SYMMFAWZUIITET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-7-8(12-5-13-9(7)16)11-4-2-1-3-6(14)15/h5H,1-4,10H2,(H,14,15)(H2,11,12,13,16).
What are the key properties of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 226.24 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).