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

C9H15N3O2 — CID 136772468

IUPAC4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-7-11-8(6-9(14)12-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyCUQVEXOISYNWDI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.26
Rot. Bonds5

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

4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136772468) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136772468
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-7-11-8(6-9(14)12-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyCUQVEXOISYNWDI-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxybutylamino)-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-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one (CID 136772468) is 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CUQVEXOISYNWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-11-8(6-9(14)12-7)10-4-2-3-5-13/h6,13H,2-5H2,1H3,(H2,10,11,12,14).
What are the key properties of 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one?
4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136772468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).