4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine

C14H17N3O — CID 80875832

IUPAC4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2c(C)ccc(C)c2C)nc(N)n1
InChIInChI=1S/C14H17N3O/c1-8-5-6-9(2)13(11(8)4)18-12-7-10(3)16-14(15)17-12/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyJAHPUGZSCNYJCT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.08
Rot. Bonds2

About 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine

4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine (PubChem CID 80875832) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
PubChem CID80875832
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2c(C)ccc(C)c2C)nc(N)n1
InChIInChI=1S/C14H17N3O/c1-8-5-6-9(2)13(11(8)4)18-12-7-10(3)16-14(15)17-12/h5-7H,1-4H3,(H2,15,16,17)
InChIKeyJAHPUGZSCNYJCT-UHFFFAOYSA-N
XLogP3.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine (CID 80875832) is 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine is Cc1cc(Oc2c(C)ccc(C)c2C)nc(N)n1.
What is the InChIKey of 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The InChIKey is JAHPUGZSCNYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-6-9(2)13(11(8)4)18-12-7-10(3)16-14(15)17-12/h5-7H,1-4H3,(H2,15,16,17).
What are the key properties of 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80875832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).