3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine

C8H13N5O — CID 15556995

IUPAC3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCC2)cc(N)n1O
InChIInChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,10,14H,1-4,9H2/b10-8+
InChIKeyJOITXEDSRYVTLJ-CSKARUKUSA-N
MW195.23 g/mol
LogP-0.22
Rot. Bonds1

About 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine

3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 15556995) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID15556995
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCC2)cc(N)n1O
InChIInChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,10,14H,1-4,9H2/b10-8+
InChIKeyJOITXEDSRYVTLJ-CSKARUKUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 15556995) is 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N2CCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JOITXEDSRYVTLJ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,10,14H,1-4,9H2/b10-8+.
What are the key properties of 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine?
3-hydroxy-2-imino-6-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 3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 15556995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).