5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one

C7H9N3O — CID 169463105

IUPAC5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one
SMILESNCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-3-1-2-6-4-9-5-10-7(6)11/h1-2,4-5H,3,8H2,(H,9,10,11)
InChIKeyVQZFWAVOPOEJID-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.26
Rot. Bonds2

About 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one

5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one (PubChem CID 169463105) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one
PubChem CID169463105
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one
SMILESNCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-3-1-2-6-4-9-5-10-7(6)11/h1-2,4-5H,3,8H2,(H,9,10,11)
InChIKeyVQZFWAVOPOEJID-UHFFFAOYSA-N
XLogP-0.26
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one (CID 169463105) is 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one is NCC=Cc1cnc[nH]c1=O.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is VQZFWAVOPOEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-3-1-2-6-4-9-5-10-7(6)11/h1-2,4-5H,3,8H2,(H,9,10,11).
What are the key properties of 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one?
5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 151.17 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 169463105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).