4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136866834

IUPAC4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-13-10(8-11(16)14-9)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyWHJYBEJSBPBSFG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.04
Rot. Bonds7

About 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one

4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136866834) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136866834
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-13-10(8-11(16)14-9)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyWHJYBEJSBPBSFG-UHFFFAOYSA-N
XLogP1.04
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-hydroxyhexylamino)-2-methyl-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 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one (CID 136866834) is 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WHJYBEJSBPBSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-13-10(8-11(16)14-9)12-6-4-2-3-5-7-15/h8,15H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one?
4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136866834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).