2-ethoxy-4-methyl-1H-pyrimidin-6-one

C7H10N2O2 — CID 135803818

IUPAC2-ethoxy-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyCIJKVRCNKUAYKK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds2

About 2-ethoxy-4-methyl-1H-pyrimidin-6-one

2-ethoxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 135803818) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-4-methyl-1H-pyrimidin-6-one
PubChem CID135803818
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethoxy-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyCIJKVRCNKUAYKK-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-6-methyl-3,4-dihydropyrimidin-4-one
CID 135437273
2-Ethoxy-6-hydroxy-4(3H)-pyrimidinone
CID 10197799
2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
2-Isopropoxy-6-(trifluoromethyl)pyrimidin-4-ol
CID 135442232
2-Methoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135504050
2-propoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711055
2-(2-methylpropoxy)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135711056
ethane;2-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 144074754
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-Ethoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135741815
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-4-methyl-1H-pyrimidin-6-one (CID 135803818) is 2-ethoxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-4-methyl-1H-pyrimidin-6-one is CCOc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CIJKVRCNKUAYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-ethoxy-4-methyl-1H-pyrimidin-6-one?
2-ethoxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135803818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).