6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine

C16H21N3O — CID 80875455

IUPAC6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19)
InChIKeyRTBFTOFOFKDOKG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.92
Rot. Bonds3

About 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine

6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80875455) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80875455
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C
InChIInChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19)
InChIKeyRTBFTOFOFKDOKG-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864099
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
4-(3-tert-butylphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107087589
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875633

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80875455) is 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C.
What is the InChIKey of 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is RTBFTOFOFKDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-7-12(9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19).
What are the key properties of 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80875455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).