4-(2-methoxyethoxy)-1H-pyrimidin-6-one

C7H10N2O3 — CID 103240667

IUPAC4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O3/c1-11-2-3-12-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyPKCLJSXZBKJDIL-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.20
Rot. Bonds4

About 4-(2-methoxyethoxy)-1H-pyrimidin-6-one

4-(2-methoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240667) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240667
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O3/c1-11-2-3-12-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyPKCLJSXZBKJDIL-UHFFFAOYSA-N
XLogP-0.20
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
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-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
4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241930
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859
2-Ethoxy-6-methoxypyrimidin-4(1H)-one
CID 12258860

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyethoxy)-1H-pyrimidin-6-one (CID 103240667) is 4-(2-methoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyethoxy)-1H-pyrimidin-6-one is COCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is PKCLJSXZBKJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-11-2-3-12-7-4-6(10)8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
4-(2-methoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).