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

C6H9N3O2 — CID 114586354

IUPAC4-(2-aminoethoxy)-1H-pyrimidin-6-one
SMILESNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H9N3O2/c7-1-2-11-6-3-5(10)8-4-9-6/h3-4H,1-2,7H2,(H,8,9,10)
InChIKeyMTRURGYJGWXQQT-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.89
Rot. Bonds3

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

4-(2-aminoethoxy)-1H-pyrimidin-6-one (PubChem CID 114586354) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-1H-pyrimidin-6-one
PubChem CID114586354
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-(2-aminoethoxy)-1H-pyrimidin-6-one
SMILESNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C6H9N3O2/c7-1-2-11-6-3-5(10)8-4-9-6/h3-4H,1-2,7H2,(H,8,9,10)
InChIKeyMTRURGYJGWXQQT-UHFFFAOYSA-N
XLogP-0.89
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
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-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
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
2-[(6-oxo-1H-pyrimidin-4-yl)oxy]acetaldehyde
CID 167220155

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-1H-pyrimidin-6-one (CID 114586354) is 4-(2-aminoethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-1H-pyrimidin-6-one is NCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-aminoethoxy)-1H-pyrimidin-6-one?
The InChIKey is MTRURGYJGWXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-1-2-11-6-3-5(10)8-4-9-6/h3-4H,1-2,7H2,(H,8,9,10).
What are the key properties of 4-(2-aminoethoxy)-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).