6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine

C16H20BrN3O — CID 80966382

IUPAC6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Br)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-8-6-7-11(17)9-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyHHLFGCQGPMWVJX-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.76
Rot. Bonds4

About 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine

6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine (PubChem CID 80966382) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
PubChem CID80966382
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Br)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H20BrN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-8-6-7-11(17)9-12/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyHHLFGCQGPMWVJX-UHFFFAOYSA-N
XLogP4.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-tert-butyl-6-(2-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965836
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
6-(3-ethoxyphenoxy)-N-ethylpyridin-2-amine
CID 80873339
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine (CID 80966382) is 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cccc(Br)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine?
The InChIKey is HHLFGCQGPMWVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-5-18-13-10-14(20-15(19-13)16(2,3)4)21-12-8-6-7-11(17)9-12/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine?
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80966382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).