6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one

C6H10N3O+ — CID 18683086

IUPAC6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one
SMILESCC[n+]1ccc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10)/p+1
InChIKeyBOPYMSJWZABKAZ-UHFFFAOYSA-O
MW140.17 g/mol
LogP-0.74
Rot. Bonds1

About 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one

6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one (PubChem CID 18683086) has the molecular formula C6H10N3O+ and a molecular weight of 140.17 g/mol. Its IUPAC name is 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one.

Molecular Properties

Compound Name6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one
PubChem CID18683086
Molecular FormulaC6H10N3O+
Molecular Weight140.17 g/mol
Exact Mass140.08
IUPAC Name6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one
SMILESCC[n+]1ccc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10)/p+1
InChIKeyBOPYMSJWZABKAZ-UHFFFAOYSA-O
XLogP-0.74
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one?
The IUPAC name of 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one (CID 18683086) is 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one.
What is the SMILES notation for 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one?
The canonical SMILES for 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one is CC[n+]1ccc(N)[nH]c1=O.
What is the InChIKey of 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one?
The InChIKey is BOPYMSJWZABKAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N3O/c1-2-9-4-3-5(7)8-6(9)10/h3-4H,2H2,1H3,(H2,7,8,10)/p+1.
What are the key properties of 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one?
6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one has a molecular weight of 140.17 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1H-pyrimidin-3-ium-2-one is sourced from PubChem (CID 18683086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).