5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one

C9H14N4O — CID 115114292

IUPAC5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one
SMILESNCc1cn(C2CCCN2)cnc1=O
InChIInChI=1S/C9H14N4O/c10-4-7-5-13(6-12-9(7)14)8-2-1-3-11-8/h5-6,8,11H,1-4,10H2
InChIKeyANZZKXPETMNKKL-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.42
Rot. Bonds2

About 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one

5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one (PubChem CID 115114292) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one
PubChem CID115114292
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one
SMILESNCc1cn(C2CCCN2)cnc1=O
InChIInChI=1S/C9H14N4O/c10-4-7-5-13(6-12-9(7)14)8-2-1-3-11-8/h5-6,8,11H,1-4,10H2
InChIKeyANZZKXPETMNKKL-UHFFFAOYSA-N
XLogP-0.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one (CID 115114292) is 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one is NCc1cn(C2CCCN2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one?
The InChIKey is ANZZKXPETMNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-4-7-5-13(6-12-9(7)14)8-2-1-3-11-8/h5-6,8,11H,1-4,10H2.
What are the key properties of 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one?
5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-pyrrolidin-2-ylpyrimidin-4-one is sourced from PubChem (CID 115114292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).