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

C10H16N4O4 — CID 136959366

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-18-4-2-3-6(10(16)17)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyCFBMWOXYPZVUKP-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.36
Rot. Bonds7

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid (PubChem CID 136959366) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
PubChem CID136959366
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-18-4-2-3-6(10(16)17)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyCFBMWOXYPZVUKP-UHFFFAOYSA-N
XLogP-0.36
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid (CID 136959366) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid is COCCCC(Nc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid?
The InChIKey is CFBMWOXYPZVUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-18-4-2-3-6(10(16)17)14-8-7(11)9(15)13-5-12-8/h5-6H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 136959366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).