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

C6H9N3O2 — CID 83851771

IUPAC5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,2,7H2,1H3,(H,8,9,10)
InChIKeyOOOYCNLJENMSTF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.76
Rot. Bonds2

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

5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one (PubChem CID 83851771) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one
PubChem CID83851771
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,2,7H2,1H3,(H,8,9,10)
InChIKeyOOOYCNLJENMSTF-UHFFFAOYSA-N
XLogP-0.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one (CID 83851771) is 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one is COc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is OOOYCNLJENMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,2,7H2,1H3,(H,8,9,10).
What are the key properties of 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one?
5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 83851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).