6-methoxypyrimidin-4-amine

C5H7N3O — CID 735731

IUPAC6-methoxypyrimidin-4-amine
SMILESCOc1cc(N)ncn1
InChIInChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChIKeyVELRBZDRGTVGGT-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.07
Rot. Bonds1

About 6-methoxypyrimidin-4-amine

6-methoxypyrimidin-4-amine (PubChem CID 735731) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxypyrimidin-4-amine
PubChem CID735731
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name6-methoxypyrimidin-4-amine
SMILESCOc1cc(N)ncn1
InChIInChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChIKeyVELRBZDRGTVGGT-UHFFFAOYSA-N
XLogP0.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidin-4-amine?
The IUPAC name of 6-methoxypyrimidin-4-amine (CID 735731) is 6-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-methoxypyrimidin-4-amine?
The canonical SMILES for 6-methoxypyrimidin-4-amine is COc1cc(N)ncn1.
What is the InChIKey of 6-methoxypyrimidin-4-amine?
The InChIKey is VELRBZDRGTVGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 6-methoxypyrimidin-4-amine?
6-methoxypyrimidin-4-amine has a molecular weight of 125.13 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrimidin-4-amine is sourced from PubChem (CID 735731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).