4,6-dimethoxypyrimidin-5-amine

C6H9N3O2 — CID 2817979

IUPAC4,6-dimethoxypyrimidin-5-amine
SMILESCOc1ncnc(OC)c1N
InChIInChI=1S/C6H9N3O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,7H2,1-2H3
InChIKeySYIABKXOJVXKDU-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.08
Rot. Bonds2

About 4,6-dimethoxypyrimidin-5-amine

4,6-dimethoxypyrimidin-5-amine (PubChem CID 2817979) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4,6-dimethoxypyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dimethoxypyrimidin-5-amine
PubChem CID2817979
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4,6-dimethoxypyrimidin-5-amine
SMILESCOc1ncnc(OC)c1N
InChIInChI=1S/C6H9N3O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,7H2,1-2H3
InChIKeySYIABKXOJVXKDU-UHFFFAOYSA-N
XLogP0.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxypyrimidin-5-amine?
The IUPAC name of 4,6-dimethoxypyrimidin-5-amine (CID 2817979) is 4,6-dimethoxypyrimidin-5-amine.
What is the SMILES notation for 4,6-dimethoxypyrimidin-5-amine?
The canonical SMILES for 4,6-dimethoxypyrimidin-5-amine is COc1ncnc(OC)c1N.
What is the InChIKey of 4,6-dimethoxypyrimidin-5-amine?
The InChIKey is SYIABKXOJVXKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,7H2,1-2H3.
What are the key properties of 4,6-dimethoxypyrimidin-5-amine?
4,6-dimethoxypyrimidin-5-amine has a molecular weight of 155.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxypyrimidin-5-amine is sourced from PubChem (CID 2817979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).