2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

C17H13BrClN3O2 — CID 156704958

IUPAC2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C17H13BrClN3O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3,(H2,20,21,22)
InChIKeyGBTXLCFBIYCONW-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.94
Rot. Bonds4

About 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 156704958) has the molecular formula C17H13BrClN3O2 and a molecular weight of 406.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
PubChem CID156704958
Molecular FormulaC17H13BrClN3O2
Molecular Weight406.67 g/mol
Exact Mass404.99
IUPAC Name2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(Br)cc2)nc1Cl
InChIInChI=1S/C17H13BrClN3O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3,(H2,20,21,22)
InChIKeyGBTXLCFBIYCONW-UHFFFAOYSA-N
XLogP4.94
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Amino-2-(3-bromophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704954
6-Chloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704955
6-Chloro-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704961
6-Chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 156704962
6-Chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
CID 156704966
6-Chloro-2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704967
2-Benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 166626381
2-[6-Amino-2-(4-bromophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704949
2-[6-Amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
6-Chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 156704953
6-Chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine
CID 156704959
2-[6-Amino-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704965

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (CID 156704958) is 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is COc1ccccc1Oc1c(N)nc(-c2ccc(Br)cc2)nc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is GBTXLCFBIYCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3,(H2,20,21,22).
What are the key properties of 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 406.67 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 156704958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).