2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80989349

IUPAC2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
SMILESCc1cccc(Oc2nc(C(C)(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-10-7-6-8-12(9-10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyGOUBPZFZJCLDPA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds2

About 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine

2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine (PubChem CID 80989349) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
PubChem CID80989349
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
SMILESCc1cccc(Oc2nc(C(C)(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-10-7-6-8-12(9-10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyGOUBPZFZJCLDPA-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine (CID 80989349) is 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine is Cc1cccc(Oc2nc(C(C)(C)C)nc(N)c2C)c1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
The InChIKey is GOUBPZFZJCLDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-7-6-8-12(9-10)20-14-11(2)13(17)18-15(19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).