4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136766321

IUPAC4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCCCCO)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-14(6-4-3-5-7-15)10-9(17-2)11(16)13-8-12-10/h8,15H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyKNLUMKSDMNBALX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.38
Rot. Bonds7

About 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136766321) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136766321
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCCCCO)nc[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-14(6-4-3-5-7-15)10-9(17-2)11(16)13-8-12-10/h8,15H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyKNLUMKSDMNBALX-UHFFFAOYSA-N
XLogP0.38
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-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-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3S)-3-hydroxypiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136811793
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[5-aminopentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136829852
4-[(2-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136859480
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136766321) is 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(C)CCCCCO)nc[nH]c1=O.
What is the InChIKey of 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KNLUMKSDMNBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-14(6-4-3-5-7-15)10-9(17-2)11(16)13-8-12-10/h8,15H,3-7H2,1-2H3,(H,12,13,16).
What are the key properties of 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxypentyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136766321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).