5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one

C9H16N4O2 — CID 136902414

IUPAC5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyRUFLOMMTTPRCPY-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.08
Rot. Bonds5

About 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one

5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136902414) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136902414
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15)
InChIKeyRUFLOMMTTPRCPY-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136902414) is 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is CC(O)CCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is RUFLOMMTTPRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(14)3-2-4-11-8-7(10)9(15)13-5-12-8/h5-6,14H,2-4,10H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136902414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).