5-methoxy-6-methylpyrimidin-4-amine

C6H9N3O — CID 45080524

IUPAC5-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1c(C)ncnc1N
InChIInChI=1S/C6H9N3O/c1-4-5(10-2)6(7)9-3-8-4/h3H,1-2H3,(H2,7,8,9)
InChIKeyPIYIXVKXPRUVHQ-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.38
Rot. Bonds1

About 5-methoxy-6-methylpyrimidin-4-amine

5-methoxy-6-methylpyrimidin-4-amine (PubChem CID 45080524) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-methylpyrimidin-4-amine
PubChem CID45080524
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1c(C)ncnc1N
InChIInChI=1S/C6H9N3O/c1-4-5(10-2)6(7)9-3-8-4/h3H,1-2H3,(H2,7,8,9)
InChIKeyPIYIXVKXPRUVHQ-UHFFFAOYSA-N
XLogP0.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-methylpyrimidin-4-amine (CID 45080524) is 5-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-methylpyrimidin-4-amine is COc1c(C)ncnc1N.
What is the InChIKey of 5-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is PIYIXVKXPRUVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-5(10-2)6(7)9-3-8-4/h3H,1-2H3,(H2,7,8,9).
What are the key properties of 5-methoxy-6-methylpyrimidin-4-amine?
5-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 139.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 45080524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).