4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136766327

IUPAC4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-12-10(8-11(16)13-9)14(2)6-4-3-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyIGMDXYUCCJNCKS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.68
Rot. Bonds6

About 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136766327) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136766327
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CCCCCO)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-12-10(8-11(16)13-9)14(2)6-4-3-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyIGMDXYUCCJNCKS-UHFFFAOYSA-N
XLogP0.68
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-hydroxypentyl(methyl)amino]-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

Related Compounds

N-[1-(6-hydroxyhexyl)-2-oxopyrimidin-4-yl]acetamide
CID 100978307
6-Chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-Chloro-2-ethyl-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114584351
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136766327) is 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IGMDXYUCCJNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-12-10(8-11(16)13-9)14(2)6-4-3-5-7-15/h8,15H,3-7H2,1-2H3,(H,12,13,16).
What are the key properties of 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136766327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).