5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C9H14N4O — CID 82505232

IUPAC5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O/c10-5-7-6-11-9(12-8(7)14)13-3-1-2-4-13/h6H,1-5,10H2,(H,11,12,14)
InChIKeyUAMYZTQWAGFDGY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.17
Rot. Bonds2

About 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 82505232) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID82505232
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O/c10-5-7-6-11-9(12-8(7)14)13-3-1-2-4-13/h6H,1-5,10H2,(H,11,12,14)
InChIKeyUAMYZTQWAGFDGY-UHFFFAOYSA-N
XLogP-0.17
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 82505232) is 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is NCc1cnc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is UAMYZTQWAGFDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-7-6-11-9(12-8(7)14)13-3-1-2-4-13/h6H,1-5,10H2,(H,11,12,14).
What are the key properties of 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82505232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).