4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136772469

IUPAC4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-9(7-10(16)14-11)12-5-3-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyFIFATWSIJDQORN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds6

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

4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136772469) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136772469
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-9(7-10(16)14-11)12-5-3-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyFIFATWSIJDQORN-UHFFFAOYSA-N
XLogP1.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
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-propan-2-yl-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

Related Compounds

4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136849684
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849685
2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849690
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136772469) is 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FIFATWSIJDQORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)11-13-9(7-10(16)14-11)12-5-3-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136772469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).