6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine

C8H11N5O — CID 20572187

IUPAC6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CC=CC2)cc(N)n1O
InChIInChI=1S/C8H11N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h1-2,5,10,14H,3-4,9H2/b10-8+
InChIKeyULYVWJZWQXJFHS-CSKARUKUSA-N
MW193.21 g/mol
LogP-0.44
Rot. Bonds1

About 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine

6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine (PubChem CID 20572187) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine
PubChem CID20572187
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CC=CC2)cc(N)n1O
InChIInChI=1S/C8H11N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h1-2,5,10,14H,3-4,9H2/b10-8+
InChIKeyULYVWJZWQXJFHS-CSKARUKUSA-N
XLogP-0.44
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine?
The IUPAC name of 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine (CID 20572187) is 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine is [H]/N=c1\nc(N2CC=CC2)cc(N)n1O.
What is the InChIKey of 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine?
The InChIKey is ULYVWJZWQXJFHS-CSKARUKUSA-N. The full InChI is InChI=1S/C8H11N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h1-2,5,10,14H,3-4,9H2/b10-8+.
What are the key properties of 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine?
6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine has a molecular weight of 193.21 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydropyrrol-1-yl)-3-hydroxy-2-iminopyrimidin-4-amine is sourced from PubChem (CID 20572187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).