4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine

C12H11BrClN3O — CID 86004337

IUPAC4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
SMILESCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-18-10-4-3-7(13)5-8(10)9-6-11(14)17-12(15)16-9/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyQRQWAKGEABJHIW-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.54
Rot. Bonds3

About 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine

4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine (PubChem CID 86004337) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
PubChem CID86004337
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
SMILESCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-18-10-4-3-7(13)5-8(10)9-6-11(14)17-12(15)16-9/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyQRQWAKGEABJHIW-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloropyrimidin-2-amine
CID 86004364
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
CID 164893337
6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
(NE)-N-[1-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 59788231
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690
6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
CID 42606877
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
CID 175874246
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
CID 175606408

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine (CID 86004337) is 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine is CCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine?
The InChIKey is QRQWAKGEABJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-18-10-4-3-7(13)5-8(10)9-6-11(14)17-12(15)16-9/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine?
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine has a molecular weight of 328.60 g/mol, XLogP of 3.54, 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-ethoxyphenyl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 86004337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).