2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

C17H13BrClN3O2 — CID 156704968

IUPAC2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C17H13BrClN3O2/c1-23-12-7-2-3-8-13(12)24-14-15(19)21-17(22-16(14)20)10-5-4-6-11(18)9-10/h2-9H,1H3,(H2,20,21,22)
InChIKeyHSIOMCDXMIYZNN-UHFFFAOYSA-N
MW406.67 g/mol
LogP4.94
Rot. Bonds4

About 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 156704968) has the molecular formula C17H13BrClN3O2 and a molecular weight of 406.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
PubChem CID156704968
Molecular FormulaC17H13BrClN3O2
Molecular Weight406.67 g/mol
Exact Mass404.99
IUPAC Name2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2cccc(Br)c2)nc1Cl
InChIInChI=1S/C17H13BrClN3O2/c1-23-12-7-2-3-8-13(12)24-14-15(19)21-17(22-16(14)20)10-5-4-6-11(18)9-10/h2-9H,1H3,(H2,20,21,22)
InChIKeyHSIOMCDXMIYZNN-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (CID 156704968) is 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is COc1ccccc1Oc1c(N)nc(-c2cccc(Br)c2)nc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is HSIOMCDXMIYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O2/c1-23-12-7-2-3-8-13(12)24-14-15(19)21-17(22-16(14)20)10-5-4-6-11(18)9-10/h2-9H,1H3,(H2,20,21,22).
What are the key properties of 2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
2-(3-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-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 156704968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).