4,6-dimethylpyrimidin-5-amine

C6H9N3 — CID 15585338

IUPAC4,6-dimethylpyrimidin-5-amine
SMILESCc1ncnc(C)c1N
InChIInChI=1S/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
InChIKeyNBUHTTJGQKIBMR-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.68
Rot. Bonds

About 4,6-dimethylpyrimidin-5-amine

4,6-dimethylpyrimidin-5-amine (PubChem CID 15585338) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-5-amine
PubChem CID15585338
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4,6-dimethylpyrimidin-5-amine
SMILESCc1ncnc(C)c1N
InChIInChI=1S/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
InChIKeyNBUHTTJGQKIBMR-UHFFFAOYSA-N
XLogP0.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-5-amine?
The IUPAC name of 4,6-dimethylpyrimidin-5-amine (CID 15585338) is 4,6-dimethylpyrimidin-5-amine.
What is the SMILES notation for 4,6-dimethylpyrimidin-5-amine?
The canonical SMILES for 4,6-dimethylpyrimidin-5-amine is Cc1ncnc(C)c1N.
What is the InChIKey of 4,6-dimethylpyrimidin-5-amine?
The InChIKey is NBUHTTJGQKIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3.
What are the key properties of 4,6-dimethylpyrimidin-5-amine?
4,6-dimethylpyrimidin-5-amine has a molecular weight of 123.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-5-amine is sourced from PubChem (CID 15585338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).