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

C9H15N3O2 — CID 66758794

IUPAC4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-10-7-8(13)11-6-12-9(7)14/h6,10H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOAGOSCIUGDMNSA-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.08
Rot. Bonds5

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

4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one (PubChem CID 66758794) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
PubChem CID66758794
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-10-7-8(13)11-6-12-9(7)14/h6,10H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOAGOSCIUGDMNSA-UHFFFAOYSA-N
XLogP1.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one (CID 66758794) is 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one is CCCCCNc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
The InChIKey is OAGOSCIUGDMNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-5-10-7-8(13)11-6-12-9(7)14/h6,10H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one?
4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(pentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 66758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).