6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine

C13H16N4O — CID 80864262

IUPAC6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2cccc(C)c2C)nc(N)n1
InChIInChI=1S/C13H16N4O/c1-8-5-4-6-10(9(8)2)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyOLNMROXLROQDJF-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.51
Rot. Bonds3

About 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine

6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80864262) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80864262
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(Oc2cccc(C)c2C)nc(N)n1
InChIInChI=1S/C13H16N4O/c1-8-5-4-6-10(9(8)2)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17)
InChIKeyOLNMROXLROQDJF-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine (CID 80864262) is 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(Oc2cccc(C)c2C)nc(N)n1.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is OLNMROXLROQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-5-4-6-10(9(8)2)18-12-7-11(15-3)16-13(14)17-12/h4-7H,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine?
6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80864262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).