6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16BrN3O — CID 80965597

IUPAC6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Br)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3O/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyDJESAHQWJFKXDN-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.34
Rot. Bonds5

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

6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80965597) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80965597
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cccc(Br)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3O/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyDJESAHQWJFKXDN-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80966723
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
6-(4-bromophenoxy)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80965887
[2-cyclopropyl-6-(3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80969262
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
2-cyclopropyl-N-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 102988946

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80965597) is 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cccc(Br)c2)nc(C2CC2)n1.
What is the InChIKey of 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is DJESAHQWJFKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).