5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione

C7H9N3O2 — CID 66606465

IUPAC5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESNC=CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c8-3-1-2-5-4-9-7(12)10-6(5)11/h1,3-4H,2,8H2,(H2,9,10,11,12)
InChIKeyFHQYEJYMPIFEHF-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.92
Rot. Bonds2

About 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione

5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 66606465) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione
PubChem CID66606465
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESNC=CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c8-3-1-2-5-4-9-7(12)10-6(5)11/h1,3-4H,2,8H2,(H2,9,10,11,12)
InChIKeyFHQYEJYMPIFEHF-UHFFFAOYSA-N
XLogP-0.92
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione (CID 66606465) is 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione is NC=CCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FHQYEJYMPIFEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-1-2-5-4-9-7(12)10-6(5)11/h1,3-4H,2,8H2,(H2,9,10,11,12).
What are the key properties of 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione?
5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 167.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-2-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66606465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).