4,6-dimethoxy-N-methylpyrimidin-2-amine

C7H11N3O2 — CID 676475

IUPAC4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C7H11N3O2/c1-8-7-9-5(11-2)4-6(10-7)12-3/h4H,1-3H3,(H,8,9,10)
InChIKeyWFTYQAAQDFQSGL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.54
Rot. Bonds3

About 4,6-dimethoxy-N-methylpyrimidin-2-amine

4,6-dimethoxy-N-methylpyrimidin-2-amine (PubChem CID 676475) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-methylpyrimidin-2-amine
PubChem CID676475
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C7H11N3O2/c1-8-7-9-5(11-2)4-6(10-7)12-3/h4H,1-3H3,(H,8,9,10)
InChIKeyWFTYQAAQDFQSGL-UHFFFAOYSA-N
XLogP0.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-methylpyrimidin-2-amine (CID 676475) is 4,6-dimethoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-methylpyrimidin-2-amine is CNc1nc(OC)cc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-methylpyrimidin-2-amine?
The InChIKey is WFTYQAAQDFQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-7-9-5(11-2)4-6(10-7)12-3/h4H,1-3H3,(H,8,9,10).
What are the key properties of 4,6-dimethoxy-N-methylpyrimidin-2-amine?
4,6-dimethoxy-N-methylpyrimidin-2-amine has a molecular weight of 169.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 676475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).