2-(aminomethyl)-1H-pyrimidin-6-one

C5H7N3O — CID 63362691

IUPAC2-(aminomethyl)-1H-pyrimidin-6-one
SMILESNCc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O/c6-3-4-7-2-1-5(9)8-4/h1-2H,3,6H2,(H,7,8,9)
InChIKeyVXYALPOBJGYTEE-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.77
Rot. Bonds1

About 2-(aminomethyl)-1H-pyrimidin-6-one

2-(aminomethyl)-1H-pyrimidin-6-one (PubChem CID 63362691) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-(aminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-1H-pyrimidin-6-one
PubChem CID63362691
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-(aminomethyl)-1H-pyrimidin-6-one
SMILESNCc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O/c6-3-4-7-2-1-5(9)8-4/h1-2H,3,6H2,(H,7,8,9)
InChIKeyVXYALPOBJGYTEE-UHFFFAOYSA-N
XLogP-0.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-1H-pyrimidin-6-one (CID 63362691) is 2-(aminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-1H-pyrimidin-6-one is NCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-1H-pyrimidin-6-one?
The InChIKey is VXYALPOBJGYTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-4-7-2-1-5(9)8-4/h1-2H,3,6H2,(H,7,8,9).
What are the key properties of 2-(aminomethyl)-1H-pyrimidin-6-one?
2-(aminomethyl)-1H-pyrimidin-6-one has a molecular weight of 125.13 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).