2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one

C6H9N3O2 — CID 105430225

IUPAC2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CN)n1
InChIInChI=1S/C6H9N3O2/c1-11-6-2-5(10)8-4(3-7)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKeySONYMTZCASPFGS-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.76
Rot. Bonds2

About 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one

2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one (PubChem CID 105430225) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one
PubChem CID105430225
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CN)n1
InChIInChI=1S/C6H9N3O2/c1-11-6-2-5(10)8-4(3-7)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKeySONYMTZCASPFGS-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 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one (CID 105430225) is 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CN)n1.
What is the InChIKey of 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is SONYMTZCASPFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6-2-5(10)8-4(3-7)9-6/h2H,3,7H2,1H3,(H,8,9,10).
What are the key properties of 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one?
2-(aminomethyl)-4-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 2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 105430225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).