1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine

C9H14N4O — CID 19085647

IUPAC1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine
SMILES[H]/N=c1\nc(N2CCCC2)cc(C)n1O
InChIInChI=1S/C9H14N4O/c1-7-6-8(11-9(10)13(7)14)12-4-2-3-5-12/h6,10,14H,2-5H2,1H3/b10-9+
InChIKeyASIQPGWXHHXHEX-MDZDMXLPSA-N
MW194.24 g/mol
LogP0.51
Rot. Bonds1

About 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine

1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine (PubChem CID 19085647) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine.

Molecular Properties

Compound Name1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine
PubChem CID19085647
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine
SMILES[H]/N=c1\nc(N2CCCC2)cc(C)n1O
InChIInChI=1S/C9H14N4O/c1-7-6-8(11-9(10)13(7)14)12-4-2-3-5-12/h6,10,14H,2-5H2,1H3/b10-9+
InChIKeyASIQPGWXHHXHEX-MDZDMXLPSA-N
XLogP0.51
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine?
The IUPAC name of 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine (CID 19085647) is 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine.
What is the SMILES notation for 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine?
The canonical SMILES for 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine is [H]/N=c1\nc(N2CCCC2)cc(C)n1O.
What is the InChIKey of 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine?
The InChIKey is ASIQPGWXHHXHEX-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-6-8(11-9(10)13(7)14)12-4-2-3-5-12/h6,10,14H,2-5H2,1H3/b10-9+.
What are the key properties of 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine?
1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine has a molecular weight of 194.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-4-pyrrolidin-1-ylpyrimidin-2-imine is sourced from PubChem (CID 19085647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).