5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one

C6H9N3O2 — CID 2337572

IUPAC5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)[nH]c(=O)c1N
InChIInChI=1S/C6H9N3O2/c1-3-8-5(10)4(7)6(9-3)11-2/h7H2,1-2H3,(H,8,9,10)
InChIKeyPLHUXAKWCCRUDM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds1

About 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one

5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 2337572) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID2337572
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)[nH]c(=O)c1N
InChIInChI=1S/C6H9N3O2/c1-3-8-5(10)4(7)6(9-3)11-2/h7H2,1-2H3,(H,8,9,10)
InChIKeyPLHUXAKWCCRUDM-UHFFFAOYSA-N
XLogP-0.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one (CID 2337572) is 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one is COc1nc(C)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PLHUXAKWCCRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-8-5(10)4(7)6(9-3)11-2/h7H2,1-2H3,(H,8,9,10).
What are the key properties of 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one?
5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 155.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 2337572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).