6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione

C9H13N3O2 — CID 3055395

IUPAC6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(N)n(CC)c1=O
InChIInChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
InChIKeyVQHXZPNWCYIWNV-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.20
Rot. Bonds3

About 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione

6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione (PubChem CID 3055395) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione
PubChem CID3055395
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(N)n(CC)c1=O
InChIInChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3
InChIKeyVQHXZPNWCYIWNV-UHFFFAOYSA-N
XLogP-0.20
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione (CID 3055395) is 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(=O)cc(N)n(CC)c1=O.
What is the InChIKey of 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is VQHXZPNWCYIWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-5-12-8(13)6-7(10)11(4-2)9(12)14/h3,6H,1,4-5,10H2,2H3.
What are the key properties of 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione?
6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-3-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 3055395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).