2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one

C12H20N2O2 — CID 136678762

IUPAC2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-3-4-7-11-13-10(6-5-8-16-2)9-12(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyWOFFMGXMNFKNRF-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.69
Rot. Bonds7

About 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one

2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136678762) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136678762
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H20N2O2/c1-3-4-7-11-13-10(6-5-8-16-2)9-12(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyWOFFMGXMNFKNRF-UHFFFAOYSA-N
XLogP1.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1H-pyrimidin-6-one
CID 136842424
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842425
2-butyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136279048
methyl 2-(2-butyl-6-oxo-1H-pyrimidin-4-yl)acetate
CID 135800037
2,4-dibutyl-1H-pyrimidin-6-one
CID 135827995
2-butyl-6-ethylpyrimidin-4(3H)-one
CID 135827997
2-butyl-4-propyl-1H-pyrimidin-6-one
CID 135827999
6-ethyl-2-propylpyrimidin-4(3H)-one
CID 135986896
2-butyl-6-cyclopropylpyrimidin-4(3H)-one
CID 136026753
2-Tert-butyl-6-(2-methoxy-ethyl)-pyrimidin-4-ol
CID 136348499
4-(3-butoxypropyl)-2-methyl-1H-pyrimidin-6-one
CID 136448194

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one (CID 136678762) is 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one is CCCCc1nc(CCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is WOFFMGXMNFKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-7-11-13-10(6-5-8-16-2)9-12(15)14-11/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one?
2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 224.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(3-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136678762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).