2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one

C9H16N4O2 — CID 66758684

IUPAC2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-11-6-7(14)12-9(10)13-8(6)15/h11H,2-5H2,1H3,(H4,10,12,13,14,15)
InChIKeyJJEPVWBPTJGQMQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.66
Rot. Bonds5

About 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one

2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one (PubChem CID 66758684) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
PubChem CID66758684
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O2/c1-2-3-4-5-11-6-7(14)12-9(10)13-8(6)15/h11H,2-5H2,1H3,(H4,10,12,13,14,15)
InChIKeyJJEPVWBPTJGQMQ-UHFFFAOYSA-N
XLogP0.66
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.66
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 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one (CID 66758684) is 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one is CCCCCNc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The InChIKey is JJEPVWBPTJGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-3-4-5-11-6-7(14)12-9(10)13-8(6)15/h11H,2-5H2,1H3,(H4,10,12,13,14,15).
What are the key properties of 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 66758684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).