1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one

C10H13N5O — CID 168686241

IUPAC1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncnc(N)c2N)C1
InChIInChI=1S/C10H13N5O/c1-2-6-3-7(16)15(4-6)10-8(11)9(12)13-5-14-10/h2,5-6H,1,3-4,11H2,(H2,12,13,14)
InChIKeyBXSHQJHTHZLVFC-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.18
Rot. Bonds2

About 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one

1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686241) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
PubChem CID168686241
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ncnc(N)c2N)C1
InChIInChI=1S/C10H13N5O/c1-2-6-3-7(16)15(4-6)10-8(11)9(12)13-5-14-10/h2,5-6H,1,3-4,11H2,(H2,12,13,14)
InChIKeyBXSHQJHTHZLVFC-UHFFFAOYSA-N
XLogP0.18
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
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 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one (CID 168686241) is 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ncnc(N)c2N)C1.
What is the InChIKey of 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
The InChIKey is BXSHQJHTHZLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-6-3-7(16)15(4-6)10-8(11)9(12)13-5-14-10/h2,5-6H,1,3-4,11H2,(H2,12,13,14).
What are the key properties of 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one?
1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).