2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

C9H14N4O3 — CID 136958470

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-2-3-5(9(15)16)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,10H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyFDDAHCUZXMTOLU-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.02
Rot. Bonds5

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958470) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958470
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-2-3-5(9(15)16)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,10H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyFDDAHCUZXMTOLU-UHFFFAOYSA-N
XLogP0.02
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958470) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(Nc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is FDDAHCUZXMTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-3-5(9(15)16)13-7-6(10)8(14)12-4-11-7/h4-5H,2-3,10H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 226.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).