4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one

C9H15N3O2 — CID 135453817

IUPAC4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCO)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-12(4-2-3-5-13)8-6-9(14)11-7-10-8/h6-7,13H,2-5H2,1H3,(H,10,11,14)
InChIKeyASIFHJWAZYQLRJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds5

About 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one

4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 135453817) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID135453817
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCO)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-12(4-2-3-5-13)8-6-9(14)11-7-10-8/h6-7,13H,2-5H2,1H3,(H,10,11,14)
InChIKeyASIFHJWAZYQLRJ-UHFFFAOYSA-N
XLogP-0.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015587
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 103240812
4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one
CID 137008121
3-[[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzonitrile
CID 137015999
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one (CID 135453817) is 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCO)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ASIFHJWAZYQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12(4-2-3-5-13)8-6-9(14)11-7-10-8/h6-7,13H,2-5H2,1H3,(H,10,11,14).
What are the key properties of 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one?
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).