4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one

C8H10N2O2 — CID 135803828

IUPAC4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one
SMILESC=CCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11)
InChIKeyXIKNAZWDYBPUDG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.64
Rot. Bonds3

About 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one

4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one (PubChem CID 135803828) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one
PubChem CID135803828
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one
SMILESC=CCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11)
InChIKeyXIKNAZWDYBPUDG-UHFFFAOYSA-N
XLogP0.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-Ethoxy-4-hydroxy-6-methylpyrimidine
CID 135803818
4-methyl-2-prop-2-ynoxy-1H-pyrimidin-6-one
CID 135803834
ethyl N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidate
CID 135782690
4-methyl-2-propoxy-1H-pyrimidin-6-one
CID 136649986

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one (CID 135803828) is 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one is C=CCOc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one?
The InChIKey is XIKNAZWDYBPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-4-12-8-9-6(2)5-7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11).
What are the key properties of 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one?
4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135803828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).