2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine

C12H18N6O4 — CID 159600283

IUPAC2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N)nc(OC)n1.COc1ncc(OC)c(N)n1
InChIInChI=1S/2C6H9N3O2/c1-10-4-3-8-6(11-2)9-5(4)7;1-10-5-3-4(7)8-6(9-5)11-2/h2*3H,1-2H3,(H2,7,8,9)
InChIKeyMLJTYKFFDNQTHQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.15
Rot. Bonds4

About 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine

2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine (PubChem CID 159600283) has the molecular formula C12H18N6O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine
PubChem CID159600283
Molecular FormulaC12H18N6O4
Molecular Weight310.31 g/mol
Exact Mass310.14
IUPAC Name2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N)nc(OC)n1.COc1ncc(OC)c(N)n1
InChIInChI=1S/2C6H9N3O2/c1-10-4-3-8-6(11-2)9-5(4)7;1-10-5-3-4(7)8-6(9-5)11-2/h2*3H,1-2H3,(H2,7,8,9)
InChIKeyMLJTYKFFDNQTHQ-UHFFFAOYSA-N
XLogP0.15
TPSA140.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine?
The IUPAC name of 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine (CID 159600283) is 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine?
The canonical SMILES for 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine is COc1cc(N)nc(OC)n1.COc1ncc(OC)c(N)n1.
What is the InChIKey of 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine?
The InChIKey is MLJTYKFFDNQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3O2/c1-10-4-3-8-6(11-2)9-5(4)7;1-10-5-3-4(7)8-6(9-5)11-2/h2*3H,1-2H3,(H2,7,8,9).
What are the key properties of 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine?
2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine has a molecular weight of 310.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxypyrimidin-4-amine;2,6-dimethoxypyrimidin-4-amine is sourced from PubChem (CID 159600283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).