6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine

C15H19N3O — CID 80874583

IUPAC6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C15H19N3O/c1-10-17-13(16)9-14(18-10)19-12-7-5-6-11(8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyAHCGXQZUUVHUAY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.46
Rot. Bonds2

About 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine

6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine (PubChem CID 80874583) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
PubChem CID80874583
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(Oc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C15H19N3O/c1-10-17-13(16)9-14(18-10)19-12-7-5-6-11(8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyAHCGXQZUUVHUAY-UHFFFAOYSA-N
XLogP3.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-tert-butylphenoxy)pyridine-2,3-diamine
CID 79827061
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849
2-methyl-6-[(6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80872882
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
2-(3-tert-butylphenoxy)-4,6-dichloro-1,3,5-triazine
CID 55124372
6-(3-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43262593
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine (CID 80874583) is 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(Oc2cccc(C(C)(C)C)c2)n1.
What is the InChIKey of 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine?
The InChIKey is AHCGXQZUUVHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-17-13(16)9-14(18-10)19-12-7-5-6-11(8-12)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine?
6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenoxy)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80874583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).