4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine

C13H13BrClN3O — CID 86004376

IUPAC4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
SMILESCC(C)Oc1ccc(Br)cc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C13H13BrClN3O/c1-7(2)19-11-4-3-8(14)5-9(11)10-6-12(15)18-13(16)17-10/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyDFSIWLSELDNWQK-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.93
Rot. Bonds3

About 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine

4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine (PubChem CID 86004376) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
PubChem CID86004376
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
SMILESCC(C)Oc1ccc(Br)cc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C13H13BrClN3O/c1-7(2)19-11-4-3-8(14)5-9(11)10-6-12(15)18-13(16)17-10/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyDFSIWLSELDNWQK-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
4-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloropyrimidin-2-amine
CID 86004364
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
CID 175606408
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80952311
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine (CID 86004376) is 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine is CC(C)Oc1ccc(Br)cc1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine?
The InChIKey is DFSIWLSELDNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-7(2)19-11-4-3-8(14)5-9(11)10-6-12(15)18-13(16)17-10/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine?
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine has a molecular weight of 342.62 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 86004376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).