6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one

C10H11N3O — CID 175403072

IUPAC6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one
SMILESC#CCC=CCc1cnc(=O)[nH]c1N
InChIInChI=1S/C10H11N3O/c1-2-3-4-5-6-8-7-12-10(14)13-9(8)11/h1,4-5,7H,3,6H2,(H3,11,12,13,14)
InChIKeyAJVKGCJEWPQHCM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.47
Rot. Bonds3

About 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one

6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one (PubChem CID 175403072) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one
PubChem CID175403072
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one
SMILESC#CCC=CCc1cnc(=O)[nH]c1N
InChIInChI=1S/C10H11N3O/c1-2-3-4-5-6-8-7-12-10(14)13-9(8)11/h1,4-5,7H,3,6H2,(H3,11,12,13,14)
InChIKeyAJVKGCJEWPQHCM-UHFFFAOYSA-N
XLogP0.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one (CID 175403072) is 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one is C#CCC=CCc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one?
The InChIKey is AJVKGCJEWPQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-3-4-5-6-8-7-12-10(14)13-9(8)11/h1,4-5,7H,3,6H2,(H3,11,12,13,14).
What are the key properties of 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one?
6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hex-2-en-5-ynyl-1H-pyrimidin-2-one is sourced from PubChem (CID 175403072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).