1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine

C8H13N5O — CID 53249622

IUPAC1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N)c(N2CCCC2)cn1O
InChIInChI=1S/C8H13N5O/c9-7-6(12-3-1-2-4-12)5-13(14)8(10)11-7/h5,14H,1-4H2,(H3,9,10,11)
InChIKeyZOSMBLSCJLEUTI-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.22
Rot. Bonds1

About 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine

1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 53249622) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID53249622
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N)c(N2CCCC2)cn1O
InChIInChI=1S/C8H13N5O/c9-7-6(12-3-1-2-4-12)5-13(14)8(10)11-7/h5,14H,1-4H2,(H3,9,10,11)
InChIKeyZOSMBLSCJLEUTI-UHFFFAOYSA-N
XLogP-0.22
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine (CID 53249622) is 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N)c(N2CCCC2)cn1O.
What is the InChIKey of 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ZOSMBLSCJLEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-7-6(12-3-1-2-4-12)5-13(14)8(10)11-7/h5,14H,1-4H2,(H3,9,10,11).
What are the key properties of 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine?
1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 195.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-imino-5-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 53249622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).