2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136965380

IUPAC2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-5-9(16-3)11-13-8(7-12-2)6-10(15)14-11/h6,9,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyZXZKONATUVCNGA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds6

About 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 136965380) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID136965380
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-5-9(16-3)11-13-8(7-12-2)6-10(15)14-11/h6,9,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyZXZKONATUVCNGA-UHFFFAOYSA-N
XLogP0.98
TPSA67.01 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930623
5-iodo-2-(1-methoxybutyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136983253
2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978262
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
2-(1-methylsulfonylethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136955107
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 165463898
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
2-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136852167
2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116734529

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 136965380) is 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is CCCC(OC)c1nc(CNC)cc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ZXZKONATUVCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-9(16-3)11-13-8(7-12-2)6-10(15)14-11/h6,9,12H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136965380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).