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

C10H16N2O2 — CID 136997551

IUPAC2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-5-8(14-3)10-11-7(2)6-9(13)12-10/h6,8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGKMWEHFCECBWPQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.57
Rot. Bonds4

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

2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997551) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997551
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-5-8(14-3)10-11-7(2)6-9(13)12-10/h6,8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGKMWEHFCECBWPQ-UHFFFAOYSA-N
XLogP1.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136965380
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 165463898
5-iodo-2-(1-methoxybutyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136983253
2-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 137256468
4-methyl-2-propylselanyl-1H-pyrimidin-6-one
CID 136704051
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705991
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116734529

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one (CID 136997551) is 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one is CCCC(OC)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GKMWEHFCECBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-8(14-3)10-11-7(2)6-9(13)12-10/h6,8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).