5-(2-aminoethoxy)-1H-pyrimidin-2-one

C6H9N3O2 — CID 117229814

IUPAC5-(2-aminoethoxy)-1H-pyrimidin-2-one
SMILESNCCOc1cnc(=O)[nH]c1
InChIInChI=1S/C6H9N3O2/c7-1-2-11-5-3-8-6(10)9-4-5/h3-4H,1-2,7H2,(H,8,9,10)
InChIKeyLLBNADWEDNMDQG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.89
Rot. Bonds3

About 5-(2-aminoethoxy)-1H-pyrimidin-2-one

5-(2-aminoethoxy)-1H-pyrimidin-2-one (PubChem CID 117229814) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-1H-pyrimidin-2-one
PubChem CID117229814
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(2-aminoethoxy)-1H-pyrimidin-2-one
SMILESNCCOc1cnc(=O)[nH]c1
InChIInChI=1S/C6H9N3O2/c7-1-2-11-5-3-8-6(10)9-4-5/h3-4H,1-2,7H2,(H,8,9,10)
InChIKeyLLBNADWEDNMDQG-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethoxy)-1H-pyrimidin-2-one (CID 117229814) is 5-(2-aminoethoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethoxy)-1H-pyrimidin-2-one is NCCOc1cnc(=O)[nH]c1.
What is the InChIKey of 5-(2-aminoethoxy)-1H-pyrimidin-2-one?
The InChIKey is LLBNADWEDNMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-1-2-11-5-3-8-6(10)9-4-5/h3-4H,1-2,7H2,(H,8,9,10).
What are the key properties of 5-(2-aminoethoxy)-1H-pyrimidin-2-one?
5-(2-aminoethoxy)-1H-pyrimidin-2-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 5-(2-aminoethoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 117229814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).