1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine

C9H15N5O — CID 19073883

IUPAC1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESC/N=c1\cc(N2CCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O/c1-11-7-6-8(12-9(10)14(7)15)13-4-2-3-5-13/h6,15H,2-5H2,1H3,(H2,10,12)/b11-7+
InChIKeyVTDQQESTUKGTJH-YRNVUSSQSA-N
MW209.25 g/mol
LogP-0.17
Rot. Bonds1

About 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine

1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 19073883) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID19073883
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESC/N=c1\cc(N2CCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O/c1-11-7-6-8(12-9(10)14(7)15)13-4-2-3-5-13/h6,15H,2-5H2,1H3,(H2,10,12)/b11-7+
InChIKeyVTDQQESTUKGTJH-YRNVUSSQSA-N
XLogP-0.17
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 19073883) is 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine is C/N=c1\cc(N2CCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is VTDQQESTUKGTJH-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H15N5O/c1-11-7-6-8(12-9(10)14(7)15)13-4-2-3-5-13/h6,15H,2-5H2,1H3,(H2,10,12)/b11-7+.
What are the key properties of 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine?
1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 209.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylimino-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 19073883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).