5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione

C8H11N3O2 — CID 23594184

IUPAC5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(/C=C/CN)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-11-5-6(3-2-4-9)7(12)10-8(11)13/h2-3,5H,4,9H2,1H3,(H,10,12,13)/b3-2+
InChIKeyNKLZPFXDXRODFQ-NSCUHMNNSA-N
MW181.19 g/mol
LogP-0.95
Rot. Bonds2

About 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione

5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione (PubChem CID 23594184) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione
PubChem CID23594184
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(/C=C/CN)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-11-5-6(3-2-4-9)7(12)10-8(11)13/h2-3,5H,4,9H2,1H3,(H,10,12,13)/b3-2+
InChIKeyNKLZPFXDXRODFQ-NSCUHMNNSA-N
XLogP-0.95
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione (CID 23594184) is 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione is Cn1cc(/C=C/CN)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is NKLZPFXDXRODFQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-5-6(3-2-4-9)7(12)10-8(11)13/h2-3,5H,4,9H2,1H3,(H,10,12,13)/b3-2+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione?
5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 23594184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).