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

C6H8N2O2 — CID 45080261

IUPAC4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H8N2O2/c1-2-10-6-3-5(9)7-4-8-6/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyGACYUQTWMKASGC-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds2

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

4-ethoxy-1H-pyrimidin-6-one (PubChem CID 45080261) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethoxy-1H-pyrimidin-6-one
PubChem CID45080261
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H8N2O2/c1-2-10-6-3-5(9)7-4-8-6/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyGACYUQTWMKASGC-UHFFFAOYSA-N
XLogP0.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
6-Methoxy-3-methylpyrimidin-4(3h)-one
CID 5185199
4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 19988572
4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240406
4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240553
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241792
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrimidin-6-one
CID 146231679
4-(2,2,3,4,4,4-hexafluorobutoxy)-1H-pyrimidin-6-one
CID 146231682
4-(2,2,3,3-tetrafluorobutoxy)-1H-pyrimidin-6-one
CID 157794543
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241907
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-ethoxy-1H-pyrimidin-6-one (CID 45080261) is 4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethoxy-1H-pyrimidin-6-one is CCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is GACYUQTWMKASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-10-6-3-5(9)7-4-8-6/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 4-ethoxy-1H-pyrimidin-6-one?
4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 45080261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).