2-(pentylamino)-1H-pyrimidin-6-one

C9H15N3O — CID 2069401

IUPAC2-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-4-6-10-9-11-7-5-8(13)12-9/h5,7H,2-4,6H2,1H3,(H2,10,11,12,13)
InChIKeyPGLLJGFESMUBEP-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.37
Rot. Bonds5

About 2-(pentylamino)-1H-pyrimidin-6-one

2-(pentylamino)-1H-pyrimidin-6-one (PubChem CID 2069401) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(pentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(pentylamino)-1H-pyrimidin-6-one
PubChem CID2069401
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-2-3-4-6-10-9-11-7-5-8(13)12-9/h5,7H,2-4,6H2,1H3,(H2,10,11,12,13)
InChIKeyPGLLJGFESMUBEP-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(pentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(pentylamino)-1H-pyrimidin-6-one (CID 2069401) is 2-(pentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(pentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(pentylamino)-1H-pyrimidin-6-one is CCCCCNc1nccc(=O)[nH]1.
What is the InChIKey of 2-(pentylamino)-1H-pyrimidin-6-one?
The InChIKey is PGLLJGFESMUBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-6-10-9-11-7-5-8(13)12-9/h5,7H,2-4,6H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(pentylamino)-1H-pyrimidin-6-one?
2-(pentylamino)-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 2069401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).