4,6-dimethoxypyrimidin-2-amine;phthalic acid

C14H15N3O6 — CID 139073447

IUPAC4,6-dimethoxypyrimidin-2-amine;phthalic acid
SMILESCOc1cc(OC)nc(N)n1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H9N3O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-10-4-3-5(11-2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9)
InChIKeyXDLSVEABSIMTGN-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.16
Rot. Bonds4

About 4,6-dimethoxypyrimidin-2-amine;phthalic acid

4,6-dimethoxypyrimidin-2-amine;phthalic acid (PubChem CID 139073447) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 4,6-dimethoxypyrimidin-2-amine;phthalic acid.

Molecular Properties

Compound Name4,6-dimethoxypyrimidin-2-amine;phthalic acid
PubChem CID139073447
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name4,6-dimethoxypyrimidin-2-amine;phthalic acid
SMILESCOc1cc(OC)nc(N)n1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C6H9N3O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-10-4-3-5(11-2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9)
InChIKeyXDLSVEABSIMTGN-UHFFFAOYSA-N
XLogP1.16
TPSA144.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4,6-dimethoxypyrimidin-2-amine;phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxypyrimidin-2-amine;phthalic acid?
The IUPAC name of 4,6-dimethoxypyrimidin-2-amine;phthalic acid (CID 139073447) is 4,6-dimethoxypyrimidin-2-amine;phthalic acid.
What is the SMILES notation for 4,6-dimethoxypyrimidin-2-amine;phthalic acid?
The canonical SMILES for 4,6-dimethoxypyrimidin-2-amine;phthalic acid is COc1cc(OC)nc(N)n1.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 4,6-dimethoxypyrimidin-2-amine;phthalic acid?
The InChIKey is XDLSVEABSIMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H9N3O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-10-4-3-5(11-2)9-6(7)8-4/h1-4H,(H,9,10)(H,11,12);3H,1-2H3,(H2,7,8,9).
What are the key properties of 4,6-dimethoxypyrimidin-2-amine;phthalic acid?
4,6-dimethoxypyrimidin-2-amine;phthalic acid has a molecular weight of 321.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxypyrimidin-2-amine;phthalic acid is sourced from PubChem (CID 139073447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).