2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine

C17H22BrN3 — CID 103083746

IUPAC2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C17H22BrN3/c1-6-19-15-10-14(17(3,4)5)20-16(21-15)13-8-7-12(18)9-11(13)2/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeySHESCBTXZMYAKF-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine

2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine (PubChem CID 103083746) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
PubChem CID103083746
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C17H22BrN3/c1-6-19-15-10-14(17(3,4)5)20-16(21-15)13-8-7-12(18)9-11(13)2/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeySHESCBTXZMYAKF-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 103083846
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63480321
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66424293
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63479987
6-tert-butyl-2-(3,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63486811
6-tert-butyl-2-(3,4-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 63485589
6-tert-butyl-N-ethyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 63480834

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine (CID 103083746) is 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine?
The InChIKey is SHESCBTXZMYAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-6-19-15-10-14(17(3,4)5)20-16(21-15)13-8-7-12(18)9-11(13)2/h7-10H,6H2,1-5H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine?
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 103083746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).